1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid

C8H6F3NO2S — CID 169171841

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C8H6F3NO2S/c9-8(10,11)5-12-3-4(15-5)7(1-2-7)6(13)14/h3H,1-2H2,(H,13,14)
InChIKeyZMUSJDXKBJUHSG-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.28
Rot. Bonds2

About 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 169171841) has the molecular formula C8H6F3NO2S and a molecular weight of 237.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID169171841
Molecular FormulaC8H6F3NO2S
Molecular Weight237.20 g/mol
Exact Mass237.01
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C8H6F3NO2S/c9-8(10,11)5-12-3-4(15-5)7(1-2-7)6(13)14/h3H,1-2H2,(H,13,14)
InChIKeyZMUSJDXKBJUHSG-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-Thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 96739060
2,2-Difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 106784032
Methyl 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate
CID 169171775
2-(2-Amino-1,3-thiazol-5-yl)-2-ethyl-4,4,4-trifluorobutanoic acid
CID 178599464
2-[2-(Fluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 84766832
2-[2-(Difluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 84772566
2-[2-(2-Fluoropropan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 84777178
2-[2-(Fluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
CID 84777179
2-[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]acetic acid
CID 84779361
2-[2-(Difluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 84779362
2-[2-(2-Fluoropropan-2-yl)-1,3-thiazol-5-yl]propanoic acid
CID 84785231
2-[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]propanoic acid
CID 84787783

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid (CID 169171841) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is ZMUSJDXKBJUHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2S/c9-8(10,11)5-12-3-4(15-5)7(1-2-7)6(13)14/h3H,1-2H2,(H,13,14).
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 237.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 169171841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).