2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C7H9ClN2OS — CID 842066

IUPAC2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CCl)sc1C
InChIInChI=1S/C7H9ClN2OS/c1-4-5(2)12-7(9-4)10-6(11)3-8/h3H2,1-2H3,(H,9,10,11)
InChIKeyBYIWUVZIBZLZOQ-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.94
Rot. Bonds2

About 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 842066) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID842066
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CCl)sc1C
InChIInChI=1S/C7H9ClN2OS/c1-4-5(2)12-7(9-4)10-6(11)3-8/h3H2,1-2H3,(H,9,10,11)
InChIKeyBYIWUVZIBZLZOQ-UHFFFAOYSA-N
XLogP1.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.94
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

N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 903546
[[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester
CID 4832471
N-(5-Chloro-4-methyl-2-thiazolyl)propanamide
CID 84102
2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 3164323
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1133016
2-Acetamido-5-chloro-4-chloromethylthiazole
CID 20482441
N-(4,5-dimethylthiazol-2-yl)-2,2,2-trifluoroacetamide
CID 5224505
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
CID 103515721
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103732943
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide
CID 130165028
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutanamide
CID 177797619
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide
CID 817032

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 842066) is 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CCl)sc1C.
What is the InChIKey of 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BYIWUVZIBZLZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-4-5(2)12-7(9-4)10-6(11)3-8/h3H2,1-2H3,(H,9,10,11).
What are the key properties of 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 204.68 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 842066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).