ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C10H13F3N2O2S — CID 7174201

IUPACethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(C)C)nc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-4-17-8(16)6-7(10(11,12)13)15-9(18-6)14-5(2)3/h5H,4H2,1-3H3,(H,14,15)
InChIKeyGGMAUVCLTOVVCM-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.16
Rot. Bonds4

About ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 7174201) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID7174201
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Nameethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(C)C)nc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-4-17-8(16)6-7(10(11,12)13)15-9(18-6)14-5(2)3/h5H,4H2,1-3H3,(H,14,15)
InChIKeyGGMAUVCLTOVVCM-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-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 ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 7174201) is ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(C)C)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is GGMAUVCLTOVVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-4-17-8(16)6-7(10(11,12)13)15-9(18-6)14-5(2)3/h5H,4H2,1-3H3,(H,14,15).
What are the key properties of ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 282.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propan-2-ylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7174201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).