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

C19H11ClF6N2OS — CID 46224930

IUPACN-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1csc(-c2ccc(Cl)cc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H11ClF6N2OS/c20-14-3-1-10(2-4-14)17-28-15(9-30-17)8-27-16(29)11-5-12(18(21,22)23)7-13(6-11)19(24,25)26/h1-7,9H,8H2,(H,27,29)
InChIKeyQIIMYXKGQFUQND-UHFFFAOYSA-N
MW464.82 g/mol
LogP6.43
Rot. Bonds4

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

N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 46224930) has the molecular formula C19H11ClF6N2OS and a molecular weight of 464.82 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID46224930
Molecular FormulaC19H11ClF6N2OS
Molecular Weight464.82 g/mol
Exact Mass464.02
IUPAC NameN-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1csc(-c2ccc(Cl)cc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H11ClF6N2OS/c20-14-3-1-10(2-4-14)17-28-15(9-30-17)8-27-16(29)11-5-12(18(21,22)23)7-13(6-11)19(24,25)26/h1-7,9H,8H2,(H,27,29)
InChIKeyQIIMYXKGQFUQND-UHFFFAOYSA-N
XLogP6.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide (CID 46224930) is N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCc1csc(-c2ccc(Cl)cc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is QIIMYXKGQFUQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF6N2OS/c20-14-3-1-10(2-4-14)17-28-15(9-30-17)8-27-16(29)11-5-12(18(21,22)23)7-13(6-11)19(24,25)26/h1-7,9H,8H2,(H,27,29).
What are the key properties of N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 464.82 g/mol, XLogP of 6.43, 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)-1,3-thiazol-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 46224930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).