N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide

C18H16F3N3OS — CID 66663141

IUPACN-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cccc2snc(N(CC)C(=O)c3cnccc3C(F)(F)F)c12
InChIInChI=1S/C18H16F3N3OS/c1-3-11-6-5-7-14-15(11)16(23-26-14)24(4-2)17(25)12-10-22-9-8-13(12)18(19,20)21/h5-10H,3-4H2,1-2H3
InChIKeyILHJYNALWGAMBT-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.94
Rot. Bonds4

About N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 66663141) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID66663141
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cccc2snc(N(CC)C(=O)c3cnccc3C(F)(F)F)c12
InChIInChI=1S/C18H16F3N3OS/c1-3-11-6-5-7-14-15(11)16(23-26-14)24(4-2)17(25)12-10-22-9-8-13(12)18(19,20)21/h5-10H,3-4H2,1-2H3
InChIKeyILHJYNALWGAMBT-UHFFFAOYSA-N
XLogP4.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide 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-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 66663141) is N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide is CCc1cccc2snc(N(CC)C(=O)c3cnccc3C(F)(F)F)c12.
What is the InChIKey of N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ILHJYNALWGAMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-3-11-6-5-7-14-15(11)16(23-26-14)24(4-2)17(25)12-10-22-9-8-13(12)18(19,20)21/h5-10H,3-4H2,1-2H3.
What are the key properties of N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-ethyl-1,2-benzothiazol-3-yl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66663141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).