2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C8H6F3NO2S — CID 71695293

IUPAC2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C2CC2)nc1C(F)(F)F
InChIInChI=1S/C8H6F3NO2S/c9-8(10,11)5-4(7(13)14)15-6(12-5)3-1-2-3/h3H,1-2H2,(H,13,14)
InChIKeySKFZITCWKMFWBL-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.74
Rot. Bonds2

About 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 71695293) has the molecular formula C8H6F3NO2S and a molecular weight of 237.20 g/mol. Its IUPAC name is 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID71695293
Molecular FormulaC8H6F3NO2S
Molecular Weight237.20 g/mol
Exact Mass237.01
IUPAC Name2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C2CC2)nc1C(F)(F)F
InChIInChI=1S/C8H6F3NO2S/c9-8(10,11)5-4(7(13)14)15-6(12-5)3-1-2-3/h3H,1-2H2,(H,13,14)
InChIKeySKFZITCWKMFWBL-UHFFFAOYSA-N
XLogP2.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl-1,3-thiazole-5-carboxylic acid
CID 736488
2-Chloro-4-methyl-1,3-thiazole-5-carboxylic acid
CID 666960
2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 13835292
2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 1486080
2-Chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 13282743
4-Methyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 13835293
4-Methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 15093930
4-Methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 10899900
2-Tert-butyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885501
2-Tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
2-Cyclopropyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 23509711
2-Butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39870055

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 71695293) is 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(C2CC2)nc1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SKFZITCWKMFWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2S/c9-8(10,11)5-4(7(13)14)15-6(12-5)3-1-2-3/h3H,1-2H2,(H,13,14).
What are the key properties of 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 237.20 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 71695293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).