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

C9H11NO2S — CID 83484944

IUPAC2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCC1(C)CC1(C(=O)O)c1cncs1
InChIInChI=1S/C9H11NO2S/c1-8(2)4-9(8,7(11)12)6-3-10-5-13-6/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyNVFPNHUTIRVRQK-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.90
Rot. Bonds2

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

2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 83484944) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID83484944
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCC1(C)CC1(C(=O)O)c1cncs1
InChIInChI=1S/C9H11NO2S/c1-8(2)4-9(8,7(11)12)6-3-10-5-13-6/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyNVFPNHUTIRVRQK-UHFFFAOYSA-N
XLogP1.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid (CID 83484944) is 2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid is CC1(C)CC1(C(=O)O)c1cncs1.
What is the InChIKey of 2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is NVFPNHUTIRVRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-8(2)4-9(8,7(11)12)6-3-10-5-13-6/h3,5H,4H2,1-2H3,(H,11,12).
What are the key properties of 2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83484944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).