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

C7H9ClN2OS — CID 16768117

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C7H9ClN2OS/c1-9-6(11)2-7-10-5(3-8)4-12-7/h4H,2-3H2,1H3,(H,9,11)
InChIKeyNYKMDNDSFNUZOV-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.17
Rot. Bonds3

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 16768117) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID16768117
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C7H9ClN2OS/c1-9-6(11)2-7-10-5(3-8)4-12-7/h4H,2-3H2,1H3,(H,9,11)
InChIKeyNYKMDNDSFNUZOV-UHFFFAOYSA-N
XLogP1.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.17
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-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
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-cyclopropylacetamide
CID 16767849
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylpentan-2-yl)acetamide
CID 43372505
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylcyclohexyl)acetamide
CID 43320110
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 43320104
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclohexylacetamide
CID 16768363
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide
CID 43319978
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63294452
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-hexan-2-ylacetamide
CID 62199892

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide (CID 16768117) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide is CNC(=O)Cc1nc(CCl)cs1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is NYKMDNDSFNUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-9-6(11)2-7-10-5(3-8)4-12-7/h4H,2-3H2,1H3,(H,9,11).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 204.68 g/mol, XLogP of 1.17, 3 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-methylacetamide is sourced from PubChem (CID 16768117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).