N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide

C16H15F3N2OS — CID 91765975

IUPACN-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide
SMILESCc1ccc(C(F)(F)F)cc1C(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C16H15F3N2OS/c1-10-2-3-11(16(17,18)19)8-13(10)15(22)21(12-4-5-12)9-14-20-6-7-23-14/h2-3,6-8,12H,4-5,9H2,1H3
InChIKeyMEPVVXOJDDIGCJ-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.28
Rot. Bonds4

About N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide

N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide (PubChem CID 91765975) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide
PubChem CID91765975
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC NameN-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide
SMILESCc1ccc(C(F)(F)F)cc1C(=O)N(Cc1nccs1)C1CC1
InChIInChI=1S/C16H15F3N2OS/c1-10-2-3-11(16(17,18)19)8-13(10)15(22)21(12-4-5-12)9-14-20-6-7-23-14/h2-3,6-8,12H,4-5,9H2,1H3
InChIKeyMEPVVXOJDDIGCJ-UHFFFAOYSA-N
XLogP4.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide (CID 91765975) is N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide is Cc1ccc(C(F)(F)F)cc1C(=O)N(Cc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide?
The InChIKey is MEPVVXOJDDIGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-10-2-3-11(16(17,18)19)8-13(10)15(22)21(12-4-5-12)9-14-20-6-7-23-14/h2-3,6-8,12H,4-5,9H2,1H3.
What are the key properties of N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide?
N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide has a molecular weight of 340.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 91765975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).