2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide

C19H17ClN2OS — CID 4969220

IUPAC2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCc1cccc(Cc2cnc(NC(=O)C(Cl)c3ccccc3)s2)c1
InChIInChI=1S/C19H17ClN2OS/c1-13-6-5-7-14(10-13)11-16-12-21-19(24-16)22-18(23)17(20)15-8-3-2-4-9-15/h2-10,12,17H,11H2,1H3,(H,21,22,23)
InChIKeyWPQIFVPINIBYTE-UHFFFAOYSA-N
MW356.88 g/mol
LogP4.96
Rot. Bonds5

About 2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide

2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 4969220) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is 2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID4969220
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCc1cccc(Cc2cnc(NC(=O)C(Cl)c3ccccc3)s2)c1
InChIInChI=1S/C19H17ClN2OS/c1-13-6-5-7-14(10-13)11-16-12-21-19(24-16)22-18(23)17(20)15-8-3-2-4-9-15/h2-10,12,17H,11H2,1H3,(H,21,22,23)
InChIKeyWPQIFVPINIBYTE-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 54.96
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-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 45479114
(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 58033052
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 3979206
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 167862447
5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17423794
2-(2,6-dichlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535969
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
3-(2-chlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 2873182
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651563
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-phenylfuran-3-carboxamide
CID 16650641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide (CID 4969220) is 2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide is Cc1cccc(Cc2cnc(NC(=O)C(Cl)c3ccccc3)s2)c1.
What is the InChIKey of 2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is WPQIFVPINIBYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-13-6-5-7-14(10-13)11-16-12-21-19(24-16)22-18(23)17(20)15-8-3-2-4-9-15/h2-10,12,17H,11H2,1H3,(H,21,22,23).
What are the key properties of 2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 356.88 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 4969220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).