methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate

C10H13F3N2O2S — CID 80571045

IUPACmethyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C10H13F3N2O2S/c1-6(2)15(5-10(11,12)13)9-14-4-7(18-9)8(16)17-3/h4,6H,5H2,1-3H3
InChIKeyYPNQLLAQJONHNK-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.71
Rot. Bonds4

About methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 80571045) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID80571045
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Namemethyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C10H13F3N2O2S/c1-6(2)15(5-10(11,12)13)9-14-4-7(18-9)8(16)17-3/h4,6H,5H2,1-3H3
InChIKeyYPNQLLAQJONHNK-UHFFFAOYSA-N
XLogP2.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate 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 methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate (CID 80571045) is methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N(CC(F)(F)F)C(C)C)s1.
What is the InChIKey of methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is YPNQLLAQJONHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-6(2)15(5-10(11,12)13)9-14-4-7(18-9)8(16)17-3/h4,6H,5H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 282.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).