3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide

C8H11F3N4OS — CID 103379592

IUPAC3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(C)CC(F)(F)F
InChIInChI=1S/C8H11F3N4OS/c1-13-6(16)4-5(12)14-17-7(4)15(2)3-8(9,10)11/h3H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyMBKQIOKNVUPXRM-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.08
Rot. Bonds3

About 3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103379592) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103379592
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC Name3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N(C)CC(F)(F)F
InChIInChI=1S/C8H11F3N4OS/c1-13-6(16)4-5(12)14-17-7(4)15(2)3-8(9,10)11/h3H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyMBKQIOKNVUPXRM-UHFFFAOYSA-N
XLogP1.08
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-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 3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide (CID 103379592) is 3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N(C)CC(F)(F)F.
What is the InChIKey of 3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is MBKQIOKNVUPXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-13-6(16)4-5(12)14-17-7(4)15(2)3-8(9,10)11/h3H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).