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

C9H7ClN4OS — CID 115661246

IUPAC2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCc1nsc(NC(=O)c2cccnc2Cl)n1
InChIInChI=1S/C9H7ClN4OS/c1-5-12-9(16-14-5)13-8(15)6-3-2-4-11-7(6)10/h2-4H,1H3,(H,12,13,14,15)
InChIKeyFSEILQQLLBNNOS-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.15
Rot. Bonds2

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

2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (PubChem CID 115661246) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
PubChem CID115661246
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCc1nsc(NC(=O)c2cccnc2Cl)n1
InChIInChI=1S/C9H7ClN4OS/c1-5-12-9(16-14-5)13-8(15)6-3-2-4-11-7(6)10/h2-4H,1H3,(H,12,13,14,15)
InChIKeyFSEILQQLLBNNOS-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

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 103755613
2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 587751
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
2-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838906
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 17013680
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 4098660
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 115569525
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 106854400
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (CID 115661246) is 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is Cc1nsc(NC(=O)c2cccnc2Cl)n1.
What is the InChIKey of 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The InChIKey is FSEILQQLLBNNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c1-5-12-9(16-14-5)13-8(15)6-3-2-4-11-7(6)10/h2-4H,1H3,(H,12,13,14,15).
What are the key properties of 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-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 2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115661246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).