N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide

C20H17ClF4N2OS2 — CID 134549580

IUPACN-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide
SMILESCC(C)Cc1cc(-c2nc(-c3ccc(NS(=O)C(F)(F)F)cc3Cl)cs2)ccc1F
InChIInChI=1S/C20H17ClF4N2OS2/c1-11(2)7-13-8-12(3-6-17(13)22)19-26-18(10-29-19)15-5-4-14(9-16(15)21)27-30(28)20(23,24)25/h3-6,8-11,27H,7H2,1-2H3
InChIKeyVBJOZEYFIWOJAR-UHFFFAOYSA-N
MW476.95 g/mol
LogP7.06
Rot. Bonds6

About N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide

N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide (PubChem CID 134549580) has the molecular formula C20H17ClF4N2OS2 and a molecular weight of 476.95 g/mol. Its IUPAC name is N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide
PubChem CID134549580
Molecular FormulaC20H17ClF4N2OS2
Molecular Weight476.95 g/mol
Exact Mass476.04
IUPAC NameN-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide
SMILESCC(C)Cc1cc(-c2nc(-c3ccc(NS(=O)C(F)(F)F)cc3Cl)cs2)ccc1F
InChIInChI=1S/C20H17ClF4N2OS2/c1-11(2)7-13-8-12(3-6-17(13)22)19-26-18(10-29-19)15-5-4-14(9-16(15)21)27-30(28)20(23,24)25/h3-6,8-11,27H,7H2,1-2H3
InChIKeyVBJOZEYFIWOJAR-UHFFFAOYSA-N
XLogP7.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.95
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide 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

N-[3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1,3-thiazol-4-yl]phenyl]-N',N'-diethylethane-1,2-diamine
CID 145149587
N-[3-chloro-4-[2-[2-(2-cyclobutylpropyl)-4-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 134549644
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483674
N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 135569925
5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide
CID 145149558
methyl 2-bromo-5-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 141449706
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5167161
3-chloro-4-[2-[3-phenylmethoxy-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(trifluoromethylsulfanyl)aniline
CID 144801034
4-[2-chloro-4-(trifluoromethylsulfonylmethyl)phenyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 157469241
amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 143557037
1-[2-[3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1,3-thiazol-4-yl]-N-(trifluoromethylsulfanyl)anilino]ethyl]pyrrolidin-2-one
CID 134549658
N-[3-chloro-4-[2-[2-(2-methylpropyl)-4-pyridinyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoro-N-[2-(2-oxopyrrolidin-3-yl)ethyl]methanesulfonamide
CID 141458014

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide?
The IUPAC name of N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide (CID 134549580) is N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide.
What is the SMILES notation for N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide?
The canonical SMILES for N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide is CC(C)Cc1cc(-c2nc(-c3ccc(NS(=O)C(F)(F)F)cc3Cl)cs2)ccc1F.
What is the InChIKey of N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide?
The InChIKey is VBJOZEYFIWOJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF4N2OS2/c1-11(2)7-13-8-12(3-6-17(13)22)19-26-18(10-29-19)15-5-4-14(9-16(15)21)27-30(28)20(23,24)25/h3-6,8-11,27H,7H2,1-2H3.
What are the key properties of N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide?
N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide has a molecular weight of 476.95 g/mol, XLogP of 7.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-[4-fluoro-3-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,1,1-trifluoromethanesulfinamide is sourced from PubChem (CID 134549580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).