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

C12H17ClN2OS — CID 16768363

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide
SMILESO=C(Cc1nc(CCl)cs1)NC1CCCCC1
InChIInChI=1S/C12H17ClN2OS/c13-7-10-8-17-12(15-10)6-11(16)14-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,16)
InChIKeyQGNNTOKTOXKKJU-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.87
Rot. Bonds4

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide (PubChem CID 16768363) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide
PubChem CID16768363
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide
SMILESO=C(Cc1nc(CCl)cs1)NC1CCCCC1
InChIInChI=1S/C12H17ClN2OS/c13-7-10-8-17-12(15-10)6-11(16)14-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,16)
InChIKeyQGNNTOKTOXKKJU-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.87
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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide
CID 16767849
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylcyclohexyl)acetamide
CID 43320110
2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154985
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3-ethylpentan-3-yl)acetamide
CID 65042316
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
N-cyclohexyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386943
N-cyclohexyl-2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 135734499
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(1,2,4-triazin-3-yl)acetamide
CID 114388829

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide (CID 16768363) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide is O=C(Cc1nc(CCl)cs1)NC1CCCCC1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide?
The InChIKey is QGNNTOKTOXKKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c13-7-10-8-17-12(15-10)6-11(16)14-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,16).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide has a molecular weight of 272.80 g/mol, XLogP of 2.87, 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-cyclohexylacetamide is sourced from PubChem (CID 16768363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).