N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide

C17H19N7OS2 — CID 144630964

IUPACN-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
SMILESNc1nnc(C2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1
InChIInChI=1S/C17H19N7OS2/c18-16-23-21-14(26-16)10-4-3-5-11(8-10)15-22-24-17(27-15)20-13(25)9-12-6-1-2-7-19-12/h1-2,6-7,10-11H,3-5,8-9H2,(H2,18,23)(H,20,24,25)/t10?,11-/m0/s1
InChIKeyRBESJYFTPVPCCM-DTIOYNMSSA-N
MW401.52 g/mol
LogP2.99
Rot. Bonds5

About N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide

N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 144630964) has the molecular formula C17H19N7OS2 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
PubChem CID144630964
Molecular FormulaC17H19N7OS2
Molecular Weight401.52 g/mol
Exact Mass401.11
IUPAC NameN-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
SMILESNc1nnc(C2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1
InChIInChI=1S/C17H19N7OS2/c18-16-23-21-14(26-16)10-4-3-5-11(8-10)15-22-24-17(27-15)20-13(25)9-12-6-1-2-7-19-12/h1-2,6-7,10-11H,3-5,8-9H2,(H2,18,23)(H,20,24,25)/t10?,11-/m0/s1
InChIKeyRBESJYFTPVPCCM-DTIOYNMSSA-N
XLogP2.99
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-pyridin-2-yl-N-[5-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cycloheptyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163298
N-[5-[(1S,3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 118444063
N-[5-[(1R,3R)-3-[5-[(2-pyrazin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
CID 118444092
2-(2-aminophenyl)-N-[5-[(1R,3R)-3-[5-[[2-(2-aminophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163237
2-pyridin-2-yl-N-(5-spiro[3.3]heptan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 126621193
2-[4-(aminomethyl)phenyl]-N-[5-[3-[5-[[2-[4-(aminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123984378
[(E)-1-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]but-1-enyl] N'-methyl-N-(2-pyridin-2-ylacetyl)carbamimidothioate
CID 144630770
N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide
CID 118219077
2-pyridin-4-yl-N-[5-[3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123473896
2-[3-(aminomethyl)phenyl]-N-[5-[3-[5-[[2-[3-(aminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123890028
2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide
CID 146202142
2-(2-nitrophenyl)-N-[5-[(1S,3S)-3-[5-[[2-(2-nitrophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163241

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide (CID 144630964) is N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide is Nc1nnc(C2CCC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.
What is the InChIKey of N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?
The InChIKey is RBESJYFTPVPCCM-DTIOYNMSSA-N. The full InChI is InChI=1S/C17H19N7OS2/c18-16-23-21-14(26-16)10-4-3-5-11(8-10)15-22-24-17(27-15)20-13(25)9-12-6-1-2-7-19-12/h1-2,6-7,10-11H,3-5,8-9H2,(H2,18,23)(H,20,24,25)/t10?,11-/m0/s1.
What are the key properties of N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?
N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 401.52 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 144630964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).