5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide

C9H7ClN4OS — CID 80617853

IUPAC5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ncccc1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H7ClN4OS/c1-5-6(3-2-4-11-5)12-7(15)8-13-14-9(10)16-8/h2-4H,1H3,(H,12,15)
InChIKeyWXXMCTDSURRTQF-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.15
Rot. Bonds2

About 5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617853) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617853
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ncccc1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H7ClN4OS/c1-5-6(3-2-4-11-5)12-7(15)8-13-14-9(10)16-8/h2-4H,1H3,(H,12,15)
InChIKeyWXXMCTDSURRTQF-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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Related Compounds

5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 103094101
5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79043907
N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575
5-chloro-N-(4-iodo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625362
N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 82757101
5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625354
3-hydroxy-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 82829673
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625727
5-chloro-N-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625838
3,6-dichloro-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 79042463
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617639
5-chloro-N-[4-(dimethylamino)-2-methylphenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625694

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (CID 80617853) is 5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is Cc1ncccc1NC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WXXMCTDSURRTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c1-5-6(3-2-4-11-5)12-7(15)8-13-14-9(10)16-8/h2-4H,1H3,(H,12,15).
What are the key properties of 5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-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 5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).