6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C14H9ClN4OS — CID 27991303

IUPAC6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)nc1
InChIInChI=1S/C14H9ClN4OS/c15-11-7-6-10(8-16-11)12(20)17-14-19-18-13(21-14)9-4-2-1-3-5-9/h1-8H,(H,17,19,20)
InChIKeyRPEZLFFWSLAHAG-UHFFFAOYSA-N
MW316.77 g/mol
LogP3.51
Rot. Bonds3

About 6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 27991303) has the molecular formula C14H9ClN4OS and a molecular weight of 316.77 g/mol. Its IUPAC name is 6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID27991303
Molecular FormulaC14H9ClN4OS
Molecular Weight316.77 g/mol
Exact Mass316.02
IUPAC Name6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)nc1
InChIInChI=1S/C14H9ClN4OS/c15-11-7-6-10(8-16-11)12(20)17-14-19-18-13(21-14)9-4-2-1-3-5-9/h1-8H,(H,17,19,20)
InChIKeyRPEZLFFWSLAHAG-UHFFFAOYSA-N
XLogP3.51
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 56657925
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
4-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenoxy]benzamide
CID 56548861
4-chloro-N-[5-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100645181
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
4-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92546648
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991649
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 18273975
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
3,4,5-trimethoxy-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45012563
2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
CID 87408033

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 27991303) is 6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is RPEZLFFWSLAHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4OS/c15-11-7-6-10(8-16-11)12(20)17-14-19-18-13(21-14)9-4-2-1-3-5-9/h1-8H,(H,17,19,20).
What are the key properties of 6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 316.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 27991303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).