2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C6H7ClN2OS — CID 846121

IUPAC2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CCl)s1
InChIInChI=1S/C6H7ClN2OS/c1-4-3-8-6(11-4)9-5(10)2-7/h3H,2H2,1H3,(H,8,9,10)
InChIKeyODWMWRAOMBZILP-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.63
Rot. Bonds2

About 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 846121) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID846121
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CCl)s1
InChIInChI=1S/C6H7ClN2OS/c1-4-3-8-6(11-4)9-5(10)2-7/h3H,2H2,1H3,(H,8,9,10)
InChIKeyODWMWRAOMBZILP-UHFFFAOYSA-N
XLogP1.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Propanamide, N-(5-chloro-2-thiazolyl)-
CID 26285
2-Acetamido-5-chlorothiazole
CID 4684134
O-ethyl [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylmethanethioate
CID 1796567
N-(5-bromo-1,3-thiazol-2-yl)-2-chloroacetamide
CID 2392313
2-Acetamido-5-methylthiazole
CID 298507
2-bromo-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 58878121
2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17386520
4-chloro-2,2,3,3,4,4-hexafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 4287941
2,2,2-trifluoro-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 23115861
N-[5-(chloromethyl)-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 88680347
N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 130015249
N-(5-ethyl-1,3-thiazol-2-yl)acetamide
CID 822440

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 846121) is 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CCl)s1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ODWMWRAOMBZILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-4-3-8-6(11-4)9-5(10)2-7/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 190.66 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 846121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).