N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

C153H151N45O12S12 — CID 157380838

IUPACN-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc([C@@H]2CCC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.CC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.O=C(Cc1cccc2[nH]ccc12)Nc1nnc([C@@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc5c4C=CC5)s3)C2)s1.O=C(Cc1cccc2c1C=CC2)Nc1nnc([C@@H]2CCC[C@@H](c3nnc(NC(=O)Cc4cccc5[nH]ccc45)s3)C2)s1.O=C(Cc1cccc2c1C=CC2)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc5[nH]ccc45)s3)C2)s1.O=C(Cc1ncccn1)Nc1nnc(C2CCC[C@H](c3nnc(NC(=O)Cc4ncccn4)s3)C2)s1
InChIInChI=1S/3C31H29N7O2S2.C22H22N10O2S2.2C19H21N7O2S2/c3*39-26(16-19-7-1-5-18-6-3-11-23(18)19)33-30-37-35-28(41-30)21-9-2-10-22(15-21)29-36-38-31(42-29)34-27(40)17-20-8-4-12-25-24(20)13-14-32-25;33-17(11-15-23-6-2-7-24-15)27-21-31-29-19(35-21)13-4-1-5-14(10-13)20-30-32-22(36-20)28-18(34)12-16-25-8-3-9-26-16;2*1-11(27)21-18-25-23-16(29-18)12-5-4-6-13(9-12)17-24-26-19(30-17)22-15(28)10-14-7-2-3-8-20-14/h3*1,3-5,7-8,11-14,21-22,32H,2,6,9-10,15-17H2,(H,33,37,39)(H,34,38,40);2-3,6-9,13-14H,1,4-5,10-12H2,(H,27,31,33)(H,28,32,34);2*2-3,7-8,12-13H,4-6,9-10H2,1H3,(H,21,25,27)(H,22,26,28)/t21-,22+;2*21-,22-;13-,14?;2*12-,13-/m010010/s1
InChIKeyBKWBPRBRCKESEU-DVZJDQHQSA-N
MW3197.00 g/mol
LogP28.24
Rot. Bonds44

About N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 157380838) has the molecular formula C153H151N45O12S12 and a molecular weight of 3197.00 g/mol. Its IUPAC name is N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID157380838
Molecular FormulaC153H151N45O12S12
Molecular Weight3197.00 g/mol
Exact Mass3193.92
IUPAC NameN-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc([C@@H]2CCC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.CC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.O=C(Cc1cccc2[nH]ccc12)Nc1nnc([C@@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc5c4C=CC5)s3)C2)s1.O=C(Cc1cccc2c1C=CC2)Nc1nnc([C@@H]2CCC[C@@H](c3nnc(NC(=O)Cc4cccc5[nH]ccc45)s3)C2)s1.O=C(Cc1cccc2c1C=CC2)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc5[nH]ccc45)s3)C2)s1.O=C(Cc1ncccn1)Nc1nnc(C2CCC[C@H](c3nnc(NC(=O)Cc4ncccn4)s3)C2)s1
InChIInChI=1S/3C31H29N7O2S2.C22H22N10O2S2.2C19H21N7O2S2/c3*39-26(16-19-7-1-5-18-6-3-11-23(18)19)33-30-37-35-28(41-30)21-9-2-10-22(15-21)29-36-38-31(42-29)34-27(40)17-20-8-4-12-25-24(20)13-14-32-25;33-17(11-15-23-6-2-7-24-15)27-21-31-29-19(35-21)13-4-1-5-14(10-13)20-30-32-22(36-20)28-18(34)12-16-25-8-3-9-26-16;2*1-11(27)21-18-25-23-16(29-18)12-5-4-6-13(9-12)17-24-26-19(30-17)22-15(28)10-14-7-2-3-8-20-14/h3*1,3-5,7-8,11-14,21-22,32H,2,6,9-10,15-17H2,(H,33,37,39)(H,34,38,40);2-3,6-9,13-14H,1,4-5,10-12H2,(H,27,31,33)(H,28,32,34);2*2-3,7-8,12-13H,4-6,9-10H2,1H3,(H,21,25,27)(H,22,26,28)/t21-,22+;2*21-,22-;13-,14?;2*12-,13-/m010010/s1
InChIKeyBKWBPRBRCKESEU-DVZJDQHQSA-N
XLogP28.24
TPSA783.27 Ų
H-Bond Donors15
H-Bond Acceptors54
Rotatable Bonds44
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003197.00
LogP ≤ 528.24
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1054

Analyze N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 157380838) is N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc([C@@H]2CCC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.CC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.O=C(Cc1cccc2[nH]ccc12)Nc1nnc([C@@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc5c4C=CC5)s3)C2)s1.O=C(Cc1cccc2c1C=CC2)Nc1nnc([C@@H]2CCC[C@@H](c3nnc(NC(=O)Cc4cccc5[nH]ccc45)s3)C2)s1.O=C(Cc1cccc2c1C=CC2)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc5[nH]ccc45)s3)C2)s1.O=C(Cc1ncccn1)Nc1nnc(C2CCC[C@H](c3nnc(NC(=O)Cc4ncccn4)s3)C2)s1.
What is the InChIKey of N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is BKWBPRBRCKESEU-DVZJDQHQSA-N. The full InChI is InChI=1S/3C31H29N7O2S2.C22H22N10O2S2.2C19H21N7O2S2/c3*39-26(16-19-7-1-5-18-6-3-11-23(18)19)33-30-37-35-28(41-30)21-9-2-10-22(15-21)29-36-38-31(42-29)34-27(40)17-20-8-4-12-25-24(20)13-14-32-25;33-17(11-15-23-6-2-7-24-15)27-21-31-29-19(35-21)13-4-1-5-14(10-13)20-30-32-22(36-20)28-18(34)12-16-25-8-3-9-26-16;2*1-11(27)21-18-25-23-16(29-18)12-5-4-6-13(9-12)17-24-26-19(30-17)22-15(28)10-14-7-2-3-8-20-14/h3*1,3-5,7-8,11-14,21-22,32H,2,6,9-10,15-17H2,(H,33,37,39)(H,34,38,40);2-3,6-9,13-14H,1,4-5,10-12H2,(H,27,31,33)(H,28,32,34);2*2-3,7-8,12-13H,4-6,9-10H2,1H3,(H,21,25,27)(H,22,26,28)/t21-,22+;2*21-,22-;13-,14?;2*12-,13-/m010010/s1.
What are the key properties of N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 3197.00 g/mol, XLogP of 28.24, 44 rotatable bonds, 15 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R,3R)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3R)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1S,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;N-[5-[(1R,3S)-3-[5-[[2-(1H-inden-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(1H-indol-4-yl)acetamide;2-pyrimidin-2-yl-N-[5-[(3S)-3-[5-[(2-pyrimidin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 157380838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).