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

C10H12F3NO2S — CID 129066940

IUPACethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-3-5-6-14-7(9(15)16-4-2)8(17-6)10(11,12)13/h3-5H2,1-2H3
InChIKeyKVCWAUQQPLXUKH-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.29
Rot. Bonds4

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

ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 129066940) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID129066940
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Nameethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-3-5-6-14-7(9(15)16-4-2)8(17-6)10(11,12)13/h3-5H2,1-2H3
InChIKeyKVCWAUQQPLXUKH-UHFFFAOYSA-N
XLogP3.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2,4-dimethylthiazole-5-carboxylate
CID 603810
Diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate
CID 2769386
Methyl 2-bromo-5-methyl-1,3-thiazole-4-carboxylate
CID 22493969
2-(Ethoxycarbonyl)-4-methylthiazole-5-carboxylic acid
CID 57571640
Methyl 2,5-dimethyl-1,3-thiazole-4-carboxylate
CID 58018049
5-Methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 112639649
Methyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 130871727
Methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 2769439
4-Trifluoromethyl-2-vinyl-thiazole-5-carboxylic acid ethyl ester
CID 12194706
ethyl 2-Ethoxy-4-Trifluoromethyl-5-Thiazolecarboxylate
CID 13282763
2-Methoxy-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester
CID 72212558
Ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 1486077

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 129066940) is ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is CCCc1nc(C(=O)OCC)c(C(F)(F)F)s1.
What is the InChIKey of ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is KVCWAUQQPLXUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-3-5-6-14-7(9(15)16-4-2)8(17-6)10(11,12)13/h3-5H2,1-2H3.
What are the key properties of ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 267.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 129066940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).