N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide

C22H16ClN3OS — CID 2295552

IUPACN-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccccc1Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H16ClN3OS/c23-17-11-5-7-13-19(17)24-21(27)16-10-4-6-12-18(16)25-22-26-20(14-28-22)15-8-2-1-3-9-15/h1-14H,(H,24,27)(H,25,26)
InChIKeyPNYWSBZTRYETCQ-UHFFFAOYSA-N
MW405.91 g/mol
LogP6.46
Rot. Bonds5

About N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide

N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 2295552) has the molecular formula C22H16ClN3OS and a molecular weight of 405.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
PubChem CID2295552
Molecular FormulaC22H16ClN3OS
Molecular Weight405.91 g/mol
Exact Mass405.07
IUPAC NameN-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccccc1Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H16ClN3OS/c23-17-11-5-7-13-19(17)24-21(27)16-10-4-6-12-18(16)25-22-26-20(14-28-22)15-8-2-1-3-9-15/h1-14H,(H,24,27)(H,25,26)
InChIKeyPNYWSBZTRYETCQ-UHFFFAOYSA-N
XLogP6.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.91
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 4799137
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
5-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
CID 22778024
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775704
N-(2-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide
CID 121476967
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide
CID 4245690

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide (CID 2295552) is N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide is O=C(Nc1ccccc1Cl)c1ccccc1Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is PNYWSBZTRYETCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3OS/c23-17-11-5-7-13-19(17)24-21(27)16-10-4-6-12-18(16)25-22-26-20(14-28-22)15-8-2-1-3-9-15/h1-14H,(H,24,27)(H,25,26).
What are the key properties of N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide?
N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 405.91 g/mol, XLogP of 6.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 2295552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).