4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one

C16H13ClN2OS — CID 92936592

IUPAC4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one
SMILESNc1ccc(-c2csc(=O)n2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H13ClN2OS/c17-13-3-1-2-11(8-13)9-19-15(10-21-16(19)20)12-4-6-14(18)7-5-12/h1-8,10H,9,18H2
InChIKeyZZSGDNAJPHZQFU-UHFFFAOYSA-N
MW316.81 g/mol
LogP3.86
Rot. Bonds3

About 4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one

4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one (PubChem CID 92936592) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one
PubChem CID92936592
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one
SMILESNc1ccc(-c2csc(=O)n2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H13ClN2OS/c17-13-3-1-2-11(8-13)9-19-15(10-21-16(19)20)12-4-6-14(18)7-5-12/h1-8,10H,9,18H2
InChIKeyZZSGDNAJPHZQFU-UHFFFAOYSA-N
XLogP3.86
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(4-aminophenyl)-2-oxo-1,3-thiazol-3-yl]methyl]furan-2-carboxylic acid
CID 94968811
3-[(4-aminophenyl)methyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-one
CID 92936578
4-(4-aminophenyl)-3-methyl-1,3-thiazol-2-one
CID 82028087
3-[(3-chlorophenyl)methyl]-1,3-benzothiazol-2-one;hydrate
CID 51056962
1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
CID 62533806
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
4-(1-benzofuran-2-yl)-3-[(3-chlorophenyl)methyl]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23762806
1-[(3-chlorophenyl)methyl]-2-ethylbenzimidazol-5-amine
CID 62533807
1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168469
3-(4-aminobutyl)-4-(4-phenylphenyl)-1,3-thiazol-2-one
CID 82027928
6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 116788203
6-[3-[(3-chlorophenyl)methyl]-2-(2,4-difluorophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23854296

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one (CID 92936592) is 4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one is Nc1ccc(-c2csc(=O)n2Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one?
The InChIKey is ZZSGDNAJPHZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c17-13-3-1-2-11(8-13)9-19-15(10-21-16(19)20)12-4-6-14(18)7-5-12/h1-8,10H,9,18H2.
What are the key properties of 4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one?
4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one has a molecular weight of 316.81 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3-[(3-chlorophenyl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 92936592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).