2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide

C9H11ClN2OS — CID 16767849

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide
SMILESO=C(Cc1nc(CCl)cs1)NC1CC1
InChIInChI=1S/C9H11ClN2OS/c10-4-7-5-14-9(12-7)3-8(13)11-6-1-2-6/h5-6H,1-4H2,(H,11,13)
InChIKeyWIDXJQIUMWRPJB-UHFFFAOYSA-N
MW230.72 g/mol
LogP1.70
Rot. Bonds4

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide (PubChem CID 16767849) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide
PubChem CID16767849
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide
SMILESO=C(Cc1nc(CCl)cs1)NC1CC1
InChIInChI=1S/C9H11ClN2OS/c10-4-7-5-14-9(12-7)3-8(13)11-6-1-2-6/h5-6H,1-4H2,(H,11,13)
InChIKeyWIDXJQIUMWRPJB-UHFFFAOYSA-N
XLogP1.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylcyclohexyl)acetamide
CID 43320110
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide
CID 16768363
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3-ethylpentan-3-yl)acetamide
CID 65042316
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide
CID 43319978
2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154985
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylpentan-2-yl)acetamide
CID 43372505
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103828
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 82547664
N-cyclopropyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386935

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide (CID 16767849) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide is O=C(Cc1nc(CCl)cs1)NC1CC1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
The InChIKey is WIDXJQIUMWRPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-4-7-5-14-9(12-7)3-8(13)11-6-1-2-6/h5-6H,1-4H2,(H,11,13).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide has a molecular weight of 230.72 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 16767849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).