N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide

C114H126F6N38O8S8 — CID 159882842

IUPACN-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccc(N5CC(F)(F)C5)cn4)s3)C2)s1.CC1(F)CN(c2ccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6ccc(N7CC(F)(F)C7)cn6)s5)C4)s3)nc2)C1.CC1CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(F)C7)n6)s5)C4)s3)n2)C1.O=C(Cc1cc(N2CCC2)ccn1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cc(N5CCC5)ccn4)s3)C2)s1
InChIInChI=1S/C31H33F3N10O2S2.C31H35FN10O2S2.C30H34N10O2S2.C22H24F2N8O2S2/c1-30(32)14-43(15-30)22-7-5-20(35-12-22)10-24(45)37-28-41-39-26(47-28)18-3-2-4-19(9-18)27-40-42-29(48-27)38-25(46)11-21-6-8-23(13-36-21)44-16-31(33,34)17-44;1-18-14-41(15-18)24-9-3-7-22(33-24)12-26(43)35-30-39-37-28(45-30)19-5-2-6-20(11-19)29-38-40-31(46-29)36-27(44)13-23-8-4-10-25(34-23)42-16-21(32)17-42;41-25(17-21-15-23(6-8-31-21)39-10-2-11-39)33-29-37-35-27(43-29)19-4-1-5-20(14-19)28-36-38-30(44-28)34-26(42)18-22-16-24(7-9-32-22)40-12-3-13-40;1-12(33)26-20-30-28-18(35-20)13-3-2-4-14(7-13)19-29-31-21(36-19)27-17(34)8-15-5-6-16(9-25-15)32-10-22(23,24)11-32/h5-8,12-13,18-19H,2-4,9-11,14-17H2,1H3,(H,37,41,45)(H,38,42,46);3-4,7-10,18-21H,2,5-6,11-17H2,1H3,(H,35,39,43)(H,36,40,44);6-9,15-16,19-20H,1-5,10-14,17-18H2,(H,33,37,41)(H,34,38,42);5-6,9,13-14H,2-4,7-8,10-11H2,1H3,(H,26,30,33)(H,27,31,34)/t18-,19-;2*19-,20-;13-,14-/m0000/s1
InChIKeyNTSZMRBKMSZMRR-OOEBWEIOSA-N
MW2527.04 g/mol
LogP17.81
Rot. Bonds37

About N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide

N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide (PubChem CID 159882842) has the molecular formula C114H126F6N38O8S8 and a molecular weight of 2527.04 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-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]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-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide
PubChem CID159882842
Molecular FormulaC114H126F6N38O8S8
Molecular Weight2527.04 g/mol
Exact Mass2524.83
IUPAC NameN-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccc(N5CC(F)(F)C5)cn4)s3)C2)s1.CC1(F)CN(c2ccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6ccc(N7CC(F)(F)C7)cn6)s5)C4)s3)nc2)C1.CC1CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(F)C7)n6)s5)C4)s3)n2)C1.O=C(Cc1cc(N2CCC2)ccn1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cc(N5CCC5)ccn4)s3)C2)s1
InChIInChI=1S/C31H33F3N10O2S2.C31H35FN10O2S2.C30H34N10O2S2.C22H24F2N8O2S2/c1-30(32)14-43(15-30)22-7-5-20(35-12-22)10-24(45)37-28-41-39-26(47-28)18-3-2-4-19(9-18)27-40-42-29(48-27)38-25(46)11-21-6-8-23(13-36-21)44-16-31(33,34)17-44;1-18-14-41(15-18)24-9-3-7-22(33-24)12-26(43)35-30-39-37-28(45-30)19-5-2-6-20(11-19)29-38-40-31(46-29)36-27(44)13-23-8-4-10-25(34-23)42-16-21(32)17-42;41-25(17-21-15-23(6-8-31-21)39-10-2-11-39)33-29-37-35-27(43-29)19-4-1-5-20(14-19)28-36-38-30(44-28)34-26(42)18-22-16-24(7-9-32-22)40-12-3-13-40;1-12(33)26-20-30-28-18(35-20)13-3-2-4-14(7-13)19-29-31-21(36-19)27-17(34)8-15-5-6-16(9-25-15)32-10-22(23,24)11-32/h5-8,12-13,18-19H,2-4,9-11,14-17H2,1H3,(H,37,41,45)(H,38,42,46);3-4,7-10,18-21H,2,5-6,11-17H2,1H3,(H,35,39,43)(H,36,40,44);6-9,15-16,19-20H,1-5,10-14,17-18H2,(H,33,37,41)(H,34,38,42);5-6,9,13-14H,2-4,7-8,10-11H2,1H3,(H,26,30,33)(H,27,31,34)/t18-,19-;2*19-,20-;13-,14-/m0000/s1
InChIKeyNTSZMRBKMSZMRR-OOEBWEIOSA-N
XLogP17.81
TPSA551.95 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds37
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002527.04
LogP ≤ 517.81
H-Bond Donors ≤ 58
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-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]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-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]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-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide (CID 159882842) is N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]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-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]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-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide is CC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccc(N5CC(F)(F)C5)cn4)s3)C2)s1.CC1(F)CN(c2ccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6ccc(N7CC(F)(F)C7)cn6)s5)C4)s3)nc2)C1.CC1CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(F)C7)n6)s5)C4)s3)n2)C1.O=C(Cc1cc(N2CCC2)ccn1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cc(N5CCC5)ccn4)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-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide?
The InChIKey is NTSZMRBKMSZMRR-OOEBWEIOSA-N. The full InChI is InChI=1S/C31H33F3N10O2S2.C31H35FN10O2S2.C30H34N10O2S2.C22H24F2N8O2S2/c1-30(32)14-43(15-30)22-7-5-20(35-12-22)10-24(45)37-28-41-39-26(47-28)18-3-2-4-19(9-18)27-40-42-29(48-27)38-25(46)11-21-6-8-23(13-36-21)44-16-31(33,34)17-44;1-18-14-41(15-18)24-9-3-7-22(33-24)12-26(43)35-30-39-37-28(45-30)19-5-2-6-20(11-19)29-38-40-31(46-29)36-27(44)13-23-8-4-10-25(34-23)42-16-21(32)17-42;41-25(17-21-15-23(6-8-31-21)39-10-2-11-39)33-29-37-35-27(43-29)19-4-1-5-20(14-19)28-36-38-30(44-28)34-26(42)18-22-16-24(7-9-32-22)40-12-3-13-40;1-12(33)26-20-30-28-18(35-20)13-3-2-4-14(7-13)19-29-31-21(36-19)27-17(34)8-15-5-6-16(9-25-15)32-10-22(23,24)11-32/h5-8,12-13,18-19H,2-4,9-11,14-17H2,1H3,(H,37,41,45)(H,38,42,46);3-4,7-10,18-21H,2,5-6,11-17H2,1H3,(H,35,39,43)(H,36,40,44);6-9,15-16,19-20H,1-5,10-14,17-18H2,(H,33,37,41)(H,34,38,42);5-6,9,13-14H,2-4,7-8,10-11H2,1H3,(H,26,30,33)(H,27,31,34)/t18-,19-;2*19-,20-;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-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide?
N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide has a molecular weight of 2527.04 g/mol, XLogP of 17.81, 37 rotatable bonds, 8 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-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[4-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[5-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-methylazetidin-1-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 159882842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).