4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C9H6F3N3OS2 — CID 110676711

IUPAC4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)sc1C(=O)Nc1nccs1
InChIInChI=1S/C9H6F3N3OS2/c1-4-5(18-7(14-4)9(10,11)12)6(16)15-8-13-2-3-17-8/h2-3H,1H3,(H,13,15,16)
InChIKeyGQDANQIBVFYWKR-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.18
Rot. Bonds2

About 4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110676711) has the molecular formula C9H6F3N3OS2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID110676711
Molecular FormulaC9H6F3N3OS2
Molecular Weight293.30 g/mol
Exact Mass292.99
IUPAC Name4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)sc1C(=O)Nc1nccs1
InChIInChI=1S/C9H6F3N3OS2/c1-4-5(18-7(14-4)9(10,11)12)6(16)15-8-13-2-3-17-8/h2-3H,1H3,(H,13,15,16)
InChIKeyGQDANQIBVFYWKR-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 44388669
CID 44388669
CID 44397443
CID 44397443
CID 76148884
CID 76148884
CID 49655898
CID 49655898
CID 132293559
CID 132293559
CID 44193694
CID 44193694
CID 57919885
CID 57919885
CID 123377574
CID 123377574
CID 142383500
CID 142383500
CID 175801084
CID 175801084
CID 16453720
CID 16453720
CID 84560322
CID 84560322

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 110676711) is 4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)sc1C(=O)Nc1nccs1.
What is the InChIKey of 4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GQDANQIBVFYWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3OS2/c1-4-5(18-7(14-4)9(10,11)12)6(16)15-8-13-2-3-17-8/h2-3H,1H3,(H,13,15,16).
What are the key properties of 4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110676711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).