2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid

C7H7NO2S — CID 135344518

IUPAC2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cnsc1
InChIInChI=1S/C7H7NO2S/c9-7(10)6-1-5(6)4-2-8-11-3-4/h2-3,5-6H,1H2,(H,9,10)
InChIKeyCKFAXFGIJZMEGV-UHFFFAOYSA-N
MW169.21 g/mol
LogP1.33
Rot. Bonds2

About 2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid

2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 135344518) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid
PubChem CID135344518
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1cnsc1
InChIInChI=1S/C7H7NO2S/c9-7(10)6-1-5(6)4-2-8-11-3-4/h2-3,5-6H,1H2,(H,9,10)
InChIKeyCKFAXFGIJZMEGV-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid (CID 135344518) is 2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1cnsc1.
What is the InChIKey of 2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is CKFAXFGIJZMEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-7(10)6-1-5(6)4-2-8-11-3-4/h2-3,5-6H,1H2,(H,9,10).
What are the key properties of 2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid?
2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 169.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 135344518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).