5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid

C60H76F4N22O7S6 — CID 158475445

IUPAC5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid
SMILESCCC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(N)s3)C2)s1.CCC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)s3)C2)s1.CCC(=O)O.CCc1cccc(N2CC(F)(F)C2)n1.Nc1nnc([C@H]2CCC[C@H](c3nnc(N)s3)C2)s1.O=C=O
InChIInChI=1S/C23H26F2N8O2S2.C13H18N6OS2.C10H12F2N2.C10H14N6S2.C3H6O2.CO2/c1-2-17(34)27-21-31-29-19(36-21)13-5-3-6-14(9-13)20-30-32-22(37-20)28-18(35)10-15-7-4-8-16(26-15)33-11-23(24,25)12-33;1-2-9(20)15-13-19-17-11(22-13)8-5-3-4-7(6-8)10-16-18-12(14)21-10;1-2-8-4-3-5-9(13-8)14-6-10(11,12)7-14;11-9-15-13-7(17-9)5-2-1-3-6(4-5)8-14-16-10(12)18-8;1-2-3(4)5;2-1-3/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H,27,31,34)(H,28,32,35);7-8H,2-6H2,1H3,(H2,14,18)(H,15,19,20);3-5H,2,6-7H2,1H3;5-6H,1-4H2,(H2,11,15)(H2,12,16);2H2,1H3,(H,4,5);/t13-,14-;7-,8-;;5-,6-;;/m00.0../s1
InChIKeyHGWJCTLDQKZXPG-CFYIJMIPSA-N
MW1485.81 g/mol
LogP10.96
Rot. Bonds17

About 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid

5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid (PubChem CID 158475445) has the molecular formula C60H76F4N22O7S6 and a molecular weight of 1485.81 g/mol. Its IUPAC name is 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid.

Molecular Properties

Compound Name5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid
PubChem CID158475445
Molecular FormulaC60H76F4N22O7S6
Molecular Weight1485.81 g/mol
Exact Mass1484.45
IUPAC Name5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid
SMILESCCC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(N)s3)C2)s1.CCC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)s3)C2)s1.CCC(=O)O.CCc1cccc(N2CC(F)(F)C2)n1.Nc1nnc([C@H]2CCC[C@H](c3nnc(N)s3)C2)s1.O=C=O
InChIInChI=1S/C23H26F2N8O2S2.C13H18N6OS2.C10H12F2N2.C10H14N6S2.C3H6O2.CO2/c1-2-17(34)27-21-31-29-19(36-21)13-5-3-6-14(9-13)20-30-32-22(37-20)28-18(35)10-15-7-4-8-16(26-15)33-11-23(24,25)12-33;1-2-9(20)15-13-19-17-11(22-13)8-5-3-4-7(6-8)10-16-18-12(14)21-10;1-2-8-4-3-5-9(13-8)14-6-10(11,12)7-14;11-9-15-13-7(17-9)5-2-1-3-6(4-5)8-14-16-10(12)18-8;1-2-3(4)5;2-1-3/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H,27,31,34)(H,28,32,35);7-8H,2-6H2,1H3,(H2,14,18)(H,15,19,20);3-5H,2,6-7H2,1H3;5-6H,1-4H2,(H2,11,15)(H2,12,16);2H2,1H3,(H,4,5);/t13-,14-;7-,8-;;5-,6-;;/m00.0../s1
InChIKeyHGWJCTLDQKZXPG-CFYIJMIPSA-N
XLogP10.96
TPSA423.74 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds17
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001485.81
LogP ≤ 510.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid?
The IUPAC name of 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid (CID 158475445) is 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid.
What is the SMILES notation for 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid?
The canonical SMILES for 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid is CCC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(N)s3)C2)s1.CCC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)s3)C2)s1.CCC(=O)O.CCc1cccc(N2CC(F)(F)C2)n1.Nc1nnc([C@H]2CCC[C@H](c3nnc(N)s3)C2)s1.O=C=O.
What is the InChIKey of 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid?
The InChIKey is HGWJCTLDQKZXPG-CFYIJMIPSA-N. The full InChI is InChI=1S/C23H26F2N8O2S2.C13H18N6OS2.C10H12F2N2.C10H14N6S2.C3H6O2.CO2/c1-2-17(34)27-21-31-29-19(36-21)13-5-3-6-14(9-13)20-30-32-22(37-20)28-18(35)10-15-7-4-8-16(26-15)33-11-23(24,25)12-33;1-2-9(20)15-13-19-17-11(22-13)8-5-3-4-7(6-8)10-16-18-12(14)21-10;1-2-8-4-3-5-9(13-8)14-6-10(11,12)7-14;11-9-15-13-7(17-9)5-2-1-3-6(4-5)8-14-16-10(12)18-8;1-2-3(4)5;2-1-3/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H,27,31,34)(H,28,32,35);7-8H,2-6H2,1H3,(H2,14,18)(H,15,19,20);3-5H,2,6-7H2,1H3;5-6H,1-4H2,(H2,11,15)(H2,12,16);2H2,1H3,(H,4,5);/t13-,14-;7-,8-;;5-,6-;;/m00.0../s1.
What are the key properties of 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid?
5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid has a molecular weight of 1485.81 g/mol, XLogP of 10.96, 17 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;carbon dioxide;2-(3,3-difluoroazetidin-1-yl)-6-ethylpyridine;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide;propanoic acid is sourced from PubChem (CID 158475445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).