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

C10H13NO2S — CID 130580400

IUPAC2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1ncc(C2C(C(=O)O)C2(C)C)s1
InChIInChI=1S/C10H13NO2S/c1-5-11-4-6(14-5)7-8(9(12)13)10(7,2)3/h4,7-8H,1-3H3,(H,12,13)
InChIKeyCGCSSICJGFRRSZ-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.28
Rot. Bonds2

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

2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 130580400) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID130580400
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1ncc(C2C(C(=O)O)C2(C)C)s1
InChIInChI=1S/C10H13NO2S/c1-5-11-4-6(14-5)7-8(9(12)13)10(7,2)3/h4,7-8H,1-3H3,(H,12,13)
InChIKeyCGCSSICJGFRRSZ-UHFFFAOYSA-N
XLogP2.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid (CID 130580400) is 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid is Cc1ncc(C2C(C(=O)O)C2(C)C)s1.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is CGCSSICJGFRRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-5-11-4-6(14-5)7-8(9(12)13)10(7,2)3/h4,7-8H,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 211.29 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 2,2-dimethyl-3-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130580400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).