N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

C109H124F5N33O10S11 — CID 158134494

IUPACN-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]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)Cc4cccc(N5CC(F)(F)C5)n4)s3)C2)s1.CC1(F)CN(c2nc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6csc(N7CC(F)(F)C7)n6)s5)C4)s3)cs2)C1.COC1=NC(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5csc(OC)n5)s4)C3)s2)=CC1.O=C(Cc1ccc(C2CCCCC2)cc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccc(C5CCNCC5)cc4)s3)C2)s1
InChIInChI=1S/C37H45N7O2S2.C27H29F3N10O2S4.C23H26N8O4S3.C22H24F2N8O2S2/c45-32(21-24-9-13-27(14-10-24)26-5-2-1-3-6-26)39-36-43-41-34(47-36)30-7-4-8-31(23-30)35-42-44-37(48-35)40-33(46)22-25-11-15-28(16-12-25)29-17-19-38-20-18-29;1-26(28)10-39(11-26)24-31-16(8-43-24)6-18(41)33-22-37-35-20(45-22)14-3-2-4-15(5-14)21-36-38-23(46-21)34-19(42)7-17-9-44-25(32-17)40-12-27(29,30)13-40;1-34-18-7-6-14(24-18)9-16(32)26-21-30-28-19(37-21)12-4-3-5-13(8-12)20-29-31-22(38-20)27-17(33)10-15-11-36-23(25-15)35-2;1-12(33)25-20-30-28-18(35-20)13-4-2-5-14(8-13)19-29-31-21(36-19)27-17(34)9-15-6-3-7-16(26-15)32-10-22(23,24)11-32/h9-16,26,29-31,38H,1-8,17-23H2,(H,39,43,45)(H,40,44,46);8-9,14-15H,2-7,10-13H2,1H3,(H,33,37,41)(H,34,38,42);6,11-13H,3-5,7-10H2,1-2H3,(H,26,30,32)(H,27,31,33);3,6-7,13-14H,2,4-5,8-11H2,1H3,(H,25,30,33)(H,27,31,34)/t30-,31-;14-,15-;12-,13-;13-,14-/m0000/s1
InChIKeyFTEKUJULSSHCCR-XMEGOMEGSA-N
MW2504.14 g/mol
LogP20.78
Rot. Bonds36

About N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 158134494) has the molecular formula C109H124F5N33O10S11 and a molecular weight of 2504.14 g/mol. Its IUPAC name is N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID158134494
Molecular FormulaC109H124F5N33O10S11
Molecular Weight2504.14 g/mol
Exact Mass2501.71
IUPAC NameN-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]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)Cc4cccc(N5CC(F)(F)C5)n4)s3)C2)s1.CC1(F)CN(c2nc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6csc(N7CC(F)(F)C7)n6)s5)C4)s3)cs2)C1.COC1=NC(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5csc(OC)n5)s4)C3)s2)=CC1.O=C(Cc1ccc(C2CCCCC2)cc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccc(C5CCNCC5)cc4)s3)C2)s1
InChIInChI=1S/C37H45N7O2S2.C27H29F3N10O2S4.C23H26N8O4S3.C22H24F2N8O2S2/c45-32(21-24-9-13-27(14-10-24)26-5-2-1-3-6-26)39-36-43-41-34(47-36)30-7-4-8-31(23-30)35-42-44-37(48-35)40-33(46)22-25-11-15-28(16-12-25)29-17-19-38-20-18-29;1-26(28)10-39(11-26)24-31-16(8-43-24)6-18(41)33-22-37-35-20(45-22)14-3-2-4-15(5-14)21-36-38-23(46-21)34-19(42)7-17-9-44-25(32-17)40-12-27(29,30)13-40;1-34-18-7-6-14(24-18)9-16(32)26-21-30-28-19(37-21)12-4-3-5-13(8-12)20-29-31-22(38-20)27-17(33)10-15-11-36-23(25-15)35-2;1-12(33)25-20-30-28-18(35-20)13-4-2-5-14(8-13)19-29-31-21(36-19)27-17(34)9-15-6-3-7-16(26-15)32-10-22(23,24)11-32/h9-16,26,29-31,38H,1-8,17-23H2,(H,39,43,45)(H,40,44,46);8-9,14-15H,2-7,10-13H2,1H3,(H,33,37,41)(H,34,38,42);6,11-13H,3-5,7-10H2,1-2H3,(H,26,30,32)(H,27,31,33);3,6-7,13-14H,2,4-5,8-11H2,1H3,(H,25,30,33)(H,27,31,34)/t30-,31-;14-,15-;12-,13-;13-,14-/m0000/s1
InChIKeyFTEKUJULSSHCCR-XMEGOMEGSA-N
XLogP20.78
TPSA543.17 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds36
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002504.14
LogP ≤ 520.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Analyze N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]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-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 158134494) is N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]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)Cc4cccc(N5CC(F)(F)C5)n4)s3)C2)s1.CC1(F)CN(c2nc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6csc(N7CC(F)(F)C7)n6)s5)C4)s3)cs2)C1.COC1=NC(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5csc(OC)n5)s4)C3)s2)=CC1.O=C(Cc1ccc(C2CCCCC2)cc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccc(C5CCNCC5)cc4)s3)C2)s1.
What is the InChIKey of N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FTEKUJULSSHCCR-XMEGOMEGSA-N. The full InChI is InChI=1S/C37H45N7O2S2.C27H29F3N10O2S4.C23H26N8O4S3.C22H24F2N8O2S2/c45-32(21-24-9-13-27(14-10-24)26-5-2-1-3-6-26)39-36-43-41-34(47-36)30-7-4-8-31(23-30)35-42-44-37(48-35)40-33(46)22-25-11-15-28(16-12-25)29-17-19-38-20-18-29;1-26(28)10-39(11-26)24-31-16(8-43-24)6-18(41)33-22-37-35-20(45-22)14-3-2-4-15(5-14)21-36-38-23(46-21)34-19(42)7-17-9-44-25(32-17)40-12-27(29,30)13-40;1-34-18-7-6-14(24-18)9-16(32)26-21-30-28-19(37-21)12-4-3-5-13(8-12)20-29-31-22(38-20)27-17(33)10-15-11-36-23(25-15)35-2;1-12(33)25-20-30-28-18(35-20)13-4-2-5-14(8-13)19-29-31-21(36-19)27-17(34)9-15-6-3-7-16(26-15)32-10-22(23,24)11-32/h9-16,26,29-31,38H,1-8,17-23H2,(H,39,43,45)(H,40,44,46);8-9,14-15H,2-7,10-13H2,1H3,(H,33,37,41)(H,34,38,42);6,11-13H,3-5,7-10H2,1-2H3,(H,26,30,32)(H,27,31,33);3,6-7,13-14H,2,4-5,8-11H2,1H3,(H,25,30,33)(H,27,31,34)/t30-,31-;14-,15-;12-,13-;13-,14-/m0000/s1.
What are the key properties of N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 2504.14 g/mol, XLogP of 20.78, 36 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-(4-cyclohexylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[2-(3-fluoro-3-methylazetidin-1-yl)-1,3-thiazol-4-yl]acetamide;2-(2-methoxy-3H-pyrrol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(2-methoxy-1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 158134494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).