4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide

C10H9F3N4OS2 — CID 131963983

IUPAC4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(CNc2nc(C(F)(F)F)cs2)sc1C(N)=O
InChIInChI=1S/C10H9F3N4OS2/c1-4-7(8(14)18)20-6(16-4)2-15-9-17-5(3-19-9)10(11,12)13/h3H,2H2,1H3,(H2,14,18)(H,15,17)
InChIKeyNBAALHSVEPHHMJ-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.64
Rot. Bonds4

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

4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 131963983) has the molecular formula C10H9F3N4OS2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide
PubChem CID131963983
Molecular FormulaC10H9F3N4OS2
Molecular Weight322.34 g/mol
Exact Mass322.02
IUPAC Name4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(CNc2nc(C(F)(F)F)cs2)sc1C(N)=O
InChIInChI=1S/C10H9F3N4OS2/c1-4-7(8(14)18)20-6(16-4)2-15-9-17-5(3-19-9)10(11,12)13/h3H,2H2,1H3,(H2,14,18)(H,15,17)
InChIKeyNBAALHSVEPHHMJ-UHFFFAOYSA-N
XLogP2.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide (CID 131963983) is 4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(CNc2nc(C(F)(F)F)cs2)sc1C(N)=O.
What is the InChIKey of 4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NBAALHSVEPHHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS2/c1-4-7(8(14)18)20-6(16-4)2-15-9-17-5(3-19-9)10(11,12)13/h3H,2H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131963983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).