N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C19H14ClF3N2OS — CID 24821489

IUPACN-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H14ClF3N2OS/c20-15-6-4-12(5-7-15)10-25-18(26)16-11-24-17(27-16)9-13-2-1-3-14(8-13)19(21,22)23/h1-8,11H,9-10H2,(H,25,26)
InChIKeyFBUWEJWUHBKGHB-UHFFFAOYSA-N
MW410.85 g/mol
LogP5.34
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 24821489) has the molecular formula C19H14ClF3N2OS and a molecular weight of 410.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID24821489
Molecular FormulaC19H14ClF3N2OS
Molecular Weight410.85 g/mol
Exact Mass410.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C19H14ClF3N2OS/c20-15-6-4-12(5-7-15)10-25-18(26)16-11-24-17(27-16)9-13-2-1-3-14(8-13)19(21,22)23/h1-8,11H,9-10H2,(H,25,26)
InChIKeyFBUWEJWUHBKGHB-UHFFFAOYSA-N
XLogP5.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 24821489) is N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cnc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FBUWEJWUHBKGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2OS/c20-15-6-4-12(5-7-15)10-25-18(26)16-11-24-17(27-16)9-13-2-1-3-14(8-13)19(21,22)23/h1-8,11H,9-10H2,(H,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 410.85 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24821489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).