1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid

C7H7NO2S — CID 96631993

IUPAC1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccns2)CC1
InChIInChI=1S/C7H7NO2S/c9-6(10)7(2-3-7)5-1-4-8-11-5/h1,4H,2-3H2,(H,9,10)
InChIKeyKIUVSCSTTNZJNO-UHFFFAOYSA-N
MW169.21 g/mol
LogP1.26
Rot. Bonds2

About 1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid

1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 96631993) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is 1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID96631993
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccns2)CC1
InChIInChI=1S/C7H7NO2S/c9-6(10)7(2-3-7)5-1-4-8-11-5/h1,4H,2-3H2,(H,9,10)
InChIKeyKIUVSCSTTNZJNO-UHFFFAOYSA-N
XLogP1.26
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid (CID 96631993) is 1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccns2)CC1.
What is the InChIKey of 1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is KIUVSCSTTNZJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-6(10)7(2-3-7)5-1-4-8-11-5/h1,4H,2-3H2,(H,9,10).
What are the key properties of 1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid?
1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 169.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 96631993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).