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

C9H7ClN4OS — CID 115661249

IUPAC4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide
SMILESCc1nsc(NC(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C9H7ClN4OS/c1-5-12-9(16-14-5)13-8(15)7-4-6(10)2-3-11-7/h2-4H,1H3,(H,12,13,14,15)
InChIKeyOMDMJOSVPBMLQX-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.15
Rot. Bonds2

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

4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide (PubChem CID 115661249) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide
PubChem CID115661249
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide
SMILESCc1nsc(NC(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C9H7ClN4OS/c1-5-12-9(16-14-5)13-8(15)7-4-6(10)2-3-11-7/h2-4H,1H3,(H,12,13,14,15)
InChIKeyOMDMJOSVPBMLQX-UHFFFAOYSA-N
XLogP2.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide (CID 115661249) is 4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide is Cc1nsc(NC(=O)c2cc(Cl)ccn2)n1.
What is the InChIKey of 4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide?
The InChIKey is OMDMJOSVPBMLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c1-5-12-9(16-14-5)13-8(15)7-4-6(10)2-3-11-7/h2-4H,1H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide?
4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide has a molecular weight of 254.70 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 115661249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).