1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid

C8H9NO2S — CID 96627434

IUPAC1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)sn1
InChIInChI=1S/C8H9NO2S/c1-5-4-6(12-9-5)8(2-3-8)7(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyLMTZAPOCSMEFEC-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.57
Rot. Bonds2

About 1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid

1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 96627434) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID96627434
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)sn1
InChIInChI=1S/C8H9NO2S/c1-5-4-6(12-9-5)8(2-3-8)7(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyLMTZAPOCSMEFEC-UHFFFAOYSA-N
XLogP1.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid (CID 96627434) is 1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CC2)sn1.
What is the InChIKey of 1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is LMTZAPOCSMEFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-5-4-6(12-9-5)8(2-3-8)7(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid?
1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-thiazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 96627434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).