3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

C17H12F3N3O2S — CID 1238099

IUPAC3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccn3)s2)c1
InChIInChI=1S/C17H12F3N3O2S/c1-25-11-6-4-5-10(9-11)15(24)23-16-22-14(17(18,19)20)13(26-16)12-7-2-3-8-21-12/h2-9H,1H3,(H,22,23,24)
InChIKeyAFLCWSQCZMRMQE-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.48
Rot. Bonds4

About 3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide

3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1238099) has the molecular formula C17H12F3N3O2S and a molecular weight of 379.36 g/mol. Its IUPAC name is 3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1238099
Molecular FormulaC17H12F3N3O2S
Molecular Weight379.36 g/mol
Exact Mass379.06
IUPAC Name3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccn3)s2)c1
InChIInChI=1S/C17H12F3N3O2S/c1-25-11-6-4-5-10(9-11)15(24)23-16-22-14(17(18,19)20)13(26-16)12-7-2-3-8-21-12/h2-9H,1H3,(H,22,23,24)
InChIKeyAFLCWSQCZMRMQE-UHFFFAOYSA-N
XLogP4.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]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 3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (CID 1238099) is 3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is COc1cccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccn3)s2)c1.
What is the InChIKey of 3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is AFLCWSQCZMRMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S/c1-25-11-6-4-5-10(9-11)15(24)23-16-22-14(17(18,19)20)13(26-16)12-7-2-3-8-21-12/h2-9H,1H3,(H,22,23,24).
What are the key properties of 3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 379.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1238099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).