2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide

C18H16ClN3OS — CID 30940383

IUPAC2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1csc(Nc2ccccc2)n1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3OS/c19-14-8-6-13(7-9-14)11-20-17(23)10-16-12-24-18(22-16)21-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,23)(H,21,22)
InChIKeyQVRLWLNMLYVVRQ-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.40
Rot. Bonds6

About 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide

2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 30940383) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID30940383
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1csc(Nc2ccccc2)n1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3OS/c19-14-8-6-13(7-9-14)11-20-17(23)10-16-12-24-18(22-16)21-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,23)(H,21,22)
InChIKeyQVRLWLNMLYVVRQ-UHFFFAOYSA-N
XLogP4.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]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

2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
2-(2-anilino-1,3-thiazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 30940483
2-(2-anilino-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 27377722
4-chloro-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567945
N-[(4-chlorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434882
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 27377989
N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378029
2-(2-anilino-1,3-thiazol-4-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27377769
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide (CID 30940383) is 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide is O=C(Cc1csc(Nc2ccccc2)n1)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is QVRLWLNMLYVVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c19-14-8-6-13(7-9-14)11-20-17(23)10-16-12-24-18(22-16)21-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,23)(H,21,22).
What are the key properties of 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide?
2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 357.87 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 30940383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).