2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide

C6H7ClN2OS2 — CID 130489940

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nc(Cl)cs1
InChIInChI=1S/C6H7ClN2OS2/c1-8-5(10)3-12-6-9-4(7)2-11-6/h2H,3H2,1H3,(H,8,10)
InChIKeyXNEDHGVAYCSINT-UHFFFAOYSA-N
MW222.72 g/mol
LogP1.63
Rot. Bonds3

About 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide

2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide (PubChem CID 130489940) has the molecular formula C6H7ClN2OS2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide
PubChem CID130489940
Molecular FormulaC6H7ClN2OS2
Molecular Weight222.72 g/mol
Exact Mass221.97
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nc(Cl)cs1
InChIInChI=1S/C6H7ClN2OS2/c1-8-5(10)3-12-6-9-4(7)2-11-6/h2H,3H2,1H3,(H,8,10)
InChIKeyXNEDHGVAYCSINT-UHFFFAOYSA-N
XLogP1.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]propanoic acid
CID 83152873
2-(6-chloropyrazin-2-yl)sulfanyl-N-methylacetamide
CID 130489953
4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole
CID 83155527
N-(3,5-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532912
2-[(4-chloro-1,3-thiazol-2-yl)-methylamino]-N-methylacetamide
CID 83155588
N-(methylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3959134
ethyl 2-[2-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8581482
2-[[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9375739
2-(6-chloropyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 130489954
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 3347675
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499952
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 16898739

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide (CID 130489940) is 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide is CNC(=O)CSc1nc(Cl)cs1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide?
The InChIKey is XNEDHGVAYCSINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS2/c1-8-5(10)3-12-6-9-4(7)2-11-6/h2H,3H2,1H3,(H,8,10).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide?
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide has a molecular weight of 222.72 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-N-methylacetamide is sourced from PubChem (CID 130489940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).