4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide

C6H7ClN2OS — CID 69228277

IUPAC4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1nc(CCl)cs1
InChIInChI=1S/C6H7ClN2OS/c1-8-5(10)6-9-4(2-7)3-11-6/h3H,2H2,1H3,(H,8,10)
InChIKeyVZNCWKBEDVVOSL-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.24
Rot. Bonds2

About 4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide

4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide (PubChem CID 69228277) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide
PubChem CID69228277
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1nc(CCl)cs1
InChIInChI=1S/C6H7ClN2OS/c1-8-5(10)6-9-4(2-7)3-11-6/h3H,2H2,1H3,(H,8,10)
InChIKeyVZNCWKBEDVVOSL-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide (CID 69228277) is 4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide is CNC(=O)c1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is VZNCWKBEDVVOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-8-5(10)6-9-4(2-7)3-11-6/h3H,2H2,1H3,(H,8,10).
What are the key properties of 4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide?
4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 190.66 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 69228277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).