(5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone

C22H15ClN2OS — CID 13162445

IUPAC(5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1nc(-c2ccccc2)sc1Nc1ccccc1
InChIInChI=1S/C22H15ClN2OS/c23-17-13-11-15(12-14-17)20(26)19-22(24-18-9-5-2-6-10-18)27-21(25-19)16-7-3-1-4-8-16/h1-14,24H
InChIKeyUHGXKFZYUDTVTG-UHFFFAOYSA-N
MW390.90 g/mol
LogP6.44
Rot. Bonds5

About (5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone

(5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone (PubChem CID 13162445) has the molecular formula C22H15ClN2OS and a molecular weight of 390.90 g/mol. Its IUPAC name is (5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone
PubChem CID13162445
Molecular FormulaC22H15ClN2OS
Molecular Weight390.90 g/mol
Exact Mass390.06
IUPAC Name(5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1nc(-c2ccccc2)sc1Nc1ccccc1
InChIInChI=1S/C22H15ClN2OS/c23-17-13-11-15(12-14-17)20(26)19-22(24-18-9-5-2-6-10-18)27-21(25-19)16-7-3-1-4-8-16/h1-14,24H
InChIKeyUHGXKFZYUDTVTG-UHFFFAOYSA-N
XLogP6.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.90
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine
CID 3783256
5-anilino-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 174704062
[3-amino-5-anilino-4-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(4-chlorophenyl)methanone
CID 155816907
4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 10126129
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
[5-(4-chloroanilino)-1,3-selenazol-4-yl]-phenylmethanone
CID 177471312
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone
CID 102413641
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 10150386
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104

Frequently Asked Questions

What is the IUPAC name of (5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone (CID 13162445) is (5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1nc(-c2ccccc2)sc1Nc1ccccc1.
What is the InChIKey of (5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone?
The InChIKey is UHGXKFZYUDTVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2OS/c23-17-13-11-15(12-14-17)20(26)19-22(24-18-9-5-2-6-10-18)27-21(25-19)16-7-3-1-4-8-16/h1-14,24H.
What are the key properties of (5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone?
(5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone has a molecular weight of 390.90 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-2-phenyl-1,3-thiazol-4-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 13162445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).