2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride

C8H9ClF3NO2S — CID 175335366

IUPAC2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCCCc1nc(C(F)(F)F)c(C(=O)O)s1.Cl
InChIInChI=1S/C8H8F3NO2S.ClH/c1-2-3-4-12-6(8(9,10)11)5(15-4)7(13)14;/h2-3H2,1H3,(H,13,14);1H
InChIKeyKFENCDKDBHWHIW-UHFFFAOYSA-N
MW275.68 g/mol
LogP3.23
Rot. Bonds3

About 2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride

2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride (PubChem CID 175335366) has the molecular formula C8H9ClF3NO2S and a molecular weight of 275.68 g/mol. Its IUPAC name is 2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
PubChem CID175335366
Molecular FormulaC8H9ClF3NO2S
Molecular Weight275.68 g/mol
Exact Mass275.00
IUPAC Name2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCCCc1nc(C(F)(F)F)c(C(=O)O)s1.Cl
InChIInChI=1S/C8H8F3NO2S.ClH/c1-2-3-4-12-6(8(9,10)11)5(15-4)7(13)14;/h2-3H2,1H3,(H,13,14);1H
InChIKeyKFENCDKDBHWHIW-UHFFFAOYSA-N
XLogP3.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.68
LogP ≤ 53.23
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-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2824058
2-Cyclohexyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 23020345
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-Ethoxy-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885484
2-Tert-butyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885501

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride (CID 175335366) is 2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride is CCCc1nc(C(F)(F)F)c(C(=O)O)s1.Cl.
What is the InChIKey of 2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride?
The InChIKey is KFENCDKDBHWHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S.ClH/c1-2-3-4-12-6(8(9,10)11)5(15-4)7(13)14;/h2-3H2,1H3,(H,13,14);1H.
What are the key properties of 2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride?
2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride has a molecular weight of 275.68 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 175335366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).