N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide

C19H14ClF3N2OS — CID 1477992

IUPACN-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14ClF3N2OS/c1-11-16(27-18(25-11)13-4-8-15(20)9-5-13)10-24-17(26)12-2-6-14(7-3-12)19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyLWNQJJHYEKWDGX-UHFFFAOYSA-N
MW410.85 g/mol
LogP5.72
Rot. Bonds4

About N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide

N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 1477992) has the molecular formula C19H14ClF3N2OS and a molecular weight of 410.85 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID1477992
Molecular FormulaC19H14ClF3N2OS
Molecular Weight410.85 g/mol
Exact Mass410.05
IUPAC NameN-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14ClF3N2OS/c1-11-16(27-18(25-11)13-4-8-15(20)9-5-13)10-24-17(26)12-2-6-14(7-3-12)19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyLWNQJJHYEKWDGX-UHFFFAOYSA-N
XLogP5.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90547060
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide
CID 5221499
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
methyl 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoate
CID 170883578
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 157056906
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 23614487
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4,5-triethoxybenzamide
CID 20965668
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 121123542
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 7518028

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide (CID 1477992) is N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide is Cc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is LWNQJJHYEKWDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2OS/c1-11-16(27-18(25-11)13-4-8-15(20)9-5-13)10-24-17(26)12-2-6-14(7-3-12)19(21,22)23/h2-9H,10H2,1H3,(H,24,26).
What are the key properties of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide?
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 410.85 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 1477992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).