N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide

C14H9N7OS2 — CID 167798594

IUPACN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1sccc1-n1ccnn1
InChIInChI=1S/C14H9N7OS2/c22-12(11-10(3-8-23-11)21-7-6-16-20-21)17-14-19-18-13(24-14)9-1-4-15-5-2-9/h1-8H,(H,17,19,22)
InChIKeyUUUYIQPOZHMCHK-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.49
Rot. Bonds4

About N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide (PubChem CID 167798594) has the molecular formula C14H9N7OS2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide
PubChem CID167798594
Molecular FormulaC14H9N7OS2
Molecular Weight355.41 g/mol
Exact Mass355.03
IUPAC NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1sccc1-n1ccnn1
InChIInChI=1S/C14H9N7OS2/c22-12(11-10(3-8-23-11)21-7-6-16-20-21)17-14-19-18-13(24-14)9-1-4-15-5-2-9/h1-8H,(H,17,19,22)
InChIKeyUUUYIQPOZHMCHK-UHFFFAOYSA-N
XLogP2.49
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 695206
2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 141226411
4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 155567708
2-chloro-2-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 167882589
4-methyl-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 53369718
3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 55455571
3-hydroxy-4-(indol-1-ylmethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 121430024
2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166256543
trans-(1R,2R)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 51701204
2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide
CID 118234198
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078
4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 53369542

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide (CID 167798594) is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide is O=C(Nc1nnc(-c2ccncc2)s1)c1sccc1-n1ccnn1.
What is the InChIKey of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide?
The InChIKey is UUUYIQPOZHMCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N7OS2/c22-12(11-10(3-8-23-11)21-7-6-16-20-21)17-14-19-18-13(24-14)9-1-4-15-5-2-9/h1-8H,(H,17,19,22).
What are the key properties of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide?
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 167798594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).