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

C10H13NO2S — CID 83703234

IUPAC1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1ncc(C2(C(=O)O)CC2)s1
InChIInChI=1S/C10H13NO2S/c1-6(2)8-11-5-7(14-8)10(3-4-10)9(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyHYKWLGGEFQTVIC-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.38
Rot. Bonds3

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

1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 83703234) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID83703234
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCC(C)c1ncc(C2(C(=O)O)CC2)s1
InChIInChI=1S/C10H13NO2S/c1-6(2)8-11-5-7(14-8)10(3-4-10)9(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyHYKWLGGEFQTVIC-UHFFFAOYSA-N
XLogP2.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid (CID 83703234) is 1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid is CC(C)c1ncc(C2(C(=O)O)CC2)s1.
What is the InChIKey of 1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is HYKWLGGEFQTVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-6(2)8-11-5-7(14-8)10(3-4-10)9(12)13/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83703234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).