1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid

C8H9NO3S — CID 82397884

IUPAC1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid
SMILESCc1sc(=O)[nH]c1C1(C(=O)O)CC1
InChIInChI=1S/C8H9NO3S/c1-4-5(9-7(12)13-4)8(2-3-8)6(10)11/h2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyLKHZGPSGJZKZBZ-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.86
Rot. Bonds2

About 1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid

1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 82397884) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid
PubChem CID82397884
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid
SMILESCc1sc(=O)[nH]c1C1(C(=O)O)CC1
InChIInChI=1S/C8H9NO3S/c1-4-5(9-7(12)13-4)8(2-3-8)6(10)11/h2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyLKHZGPSGJZKZBZ-UHFFFAOYSA-N
XLogP0.86
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 84806704
1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid
CID 123465513
9-oxobicyclo[3.3.1]nonane-1,5-dicarboxylic acid
CID 91401629
1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid
CID 82285493
1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid
CID 82665632
1-(4-methylthiophen-3-yl)cyclobutane-1-carboxylic acid
CID 84774040
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylic acid
CID 116887002
1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278474
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid
CID 83908158
1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid
CID 96629349
1-(2-formyl-4,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117310769

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid (CID 82397884) is 1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid is Cc1sc(=O)[nH]c1C1(C(=O)O)CC1.
What is the InChIKey of 1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is LKHZGPSGJZKZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-4-5(9-7(12)13-4)8(2-3-8)6(10)11/h2-3H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid?
1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 199.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-oxo-3H-1,3-thiazol-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82397884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).