N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide

C25H19ClF3N3OS2 — CID 142392037

IUPACN-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide
SMILESCSc1ccc(NC(=O)c2cccc(-c3csc(NCc4cccc(C(F)(F)F)c4)n3)c2)c(Cl)c1
InChIInChI=1S/C25H19ClF3N3OS2/c1-34-19-8-9-21(20(26)12-19)31-23(33)17-6-3-5-16(11-17)22-14-35-24(32-22)30-13-15-4-2-7-18(10-15)25(27,28)29/h2-12,14H,13H2,1H3,(H,30,32)(H,31,33)
InChIKeyZUEAOSHGTSEXKU-UHFFFAOYSA-N
MW534.03 g/mol
LogP8.07
Rot. Bonds7

About N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide

N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide (PubChem CID 142392037) has the molecular formula C25H19ClF3N3OS2 and a molecular weight of 534.03 g/mol. Its IUPAC name is N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide
PubChem CID142392037
Molecular FormulaC25H19ClF3N3OS2
Molecular Weight534.03 g/mol
Exact Mass533.06
IUPAC NameN-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide
SMILESCSc1ccc(NC(=O)c2cccc(-c3csc(NCc4cccc(C(F)(F)F)c4)n3)c2)c(Cl)c1
InChIInChI=1S/C25H19ClF3N3OS2/c1-34-19-8-9-21(20(26)12-19)31-23(33)17-6-3-5-16(11-17)22-14-35-24(32-22)30-13-15-4-2-7-18(10-15)25(27,28)29/h2-12,14H,13H2,1H3,(H,30,32)(H,31,33)
InChIKeyZUEAOSHGTSEXKU-UHFFFAOYSA-N
XLogP8.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.03
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
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CID 146094787
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 3443963
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 16910435
methyl 2-[3-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55871510
3-bromo-5-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094788
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
ethane;3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzoic acid
CID 156795689
2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
CID 87544502
4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
CID 47045100
5-nitro-N-[4-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide (CID 142392037) is N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide is CSc1ccc(NC(=O)c2cccc(-c3csc(NCc4cccc(C(F)(F)F)c4)n3)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide?
The InChIKey is ZUEAOSHGTSEXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N3OS2/c1-34-19-8-9-21(20(26)12-19)31-23(33)17-6-3-5-16(11-17)22-14-35-24(32-22)30-13-15-4-2-7-18(10-15)25(27,28)29/h2-12,14H,13H2,1H3,(H,30,32)(H,31,33).
What are the key properties of N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide?
N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide has a molecular weight of 534.03 g/mol, XLogP of 8.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 142392037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).