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

C18H13F3N2OS — CID 1113544

IUPACN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccccc1
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)14-8-4-5-12(9-14)10-15-11-22-17(25-15)23-16(24)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,22,23,24)
InChIKeyGEWSKARAKJOSAQ-UHFFFAOYSA-N
MW362.38 g/mol
LogP5.01
Rot. Bonds4

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

N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 1113544) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID1113544
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC NameN-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccccc1
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)14-8-4-5-12(9-14)10-15-11-22-17(25-15)23-16(24)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,22,23,24)
InChIKeyGEWSKARAKJOSAQ-UHFFFAOYSA-N
XLogP5.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 1113544) is N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccccc1.
What is the InChIKey of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is GEWSKARAKJOSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c19-18(20,21)14-8-4-5-12(9-14)10-15-11-22-17(25-15)23-16(24)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,22,23,24).
What are the key properties of N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 362.38 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1113544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).