N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H12F3N3O2S — CID 31890436

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cccnc3OCC(F)(F)F)sc2c1
InChIInChI=1S/C16H12F3N3O2S/c1-9-4-5-11-12(7-9)25-15(21-11)22-13(23)10-3-2-6-20-14(10)24-8-16(17,18)19/h2-7H,8H2,1H3,(H,21,22,23)
InChIKeySBYIVWIIALWRRU-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.19
Rot. Bonds4

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 31890436) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID31890436
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cccnc3OCC(F)(F)F)sc2c1
InChIInChI=1S/C16H12F3N3O2S/c1-9-4-5-11-12(7-9)25-15(21-11)22-13(23)10-3-2-6-20-14(10)24-8-16(17,18)19/h2-7H,8H2,1H3,(H,21,22,23)
InChIKeySBYIVWIIALWRRU-UHFFFAOYSA-N
XLogP4.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)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-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 31890436) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1ccc2nc(NC(=O)c3cccnc3OCC(F)(F)F)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is SBYIVWIIALWRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c1-9-4-5-11-12(7-9)25-15(21-11)22-13(23)10-3-2-6-20-14(10)24-8-16(17,18)19/h2-7H,8H2,1H3,(H,21,22,23).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 31890436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).