2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide

C12H11ClN2OS — CID 63831536

IUPAC2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESO=C(NCc1cscn1)C(Cl)c1ccccc1
InChIInChI=1S/C12H11ClN2OS/c13-11(9-4-2-1-3-5-9)12(16)14-6-10-7-17-8-15-10/h1-5,7-8,11H,6H2,(H,14,16)
InChIKeyQHYRVOANWGRIJJ-UHFFFAOYSA-N
MW266.75 g/mol
LogP2.74
Rot. Bonds4

About 2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide

2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide (PubChem CID 63831536) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
PubChem CID63831536
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESO=C(NCc1cscn1)C(Cl)c1ccccc1
InChIInChI=1S/C12H11ClN2OS/c13-11(9-4-2-1-3-5-9)12(16)14-6-10-7-17-8-15-10/h1-5,7-8,11H,6H2,(H,14,16)
InChIKeyQHYRVOANWGRIJJ-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide 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

3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 63824817
3-phenyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 63825576
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid
CID 63825227
(2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide
CID 92883121
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997
2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346233
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide
CID 62995149
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide
CID 54900213
2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
CID 119868973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The IUPAC name of 2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide (CID 63831536) is 2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide is O=C(NCc1cscn1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The InChIKey is QHYRVOANWGRIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-11(9-4-2-1-3-5-9)12(16)14-6-10-7-17-8-15-10/h1-5,7-8,11H,6H2,(H,14,16).
What are the key properties of 2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide has a molecular weight of 266.75 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide is sourced from PubChem (CID 63831536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).