2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid

C8H9NO2S — CID 65421023

IUPAC2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CC1c1ncc(C(=O)O)s1
InChIInChI=1S/C8H9NO2S/c1-4-2-5(4)7-9-3-6(12-7)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChIKeyFPEDRRXNYZVLCJ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.96
Rot. Bonds2

About 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid

2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 65421023) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid
PubChem CID65421023
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CC1c1ncc(C(=O)O)s1
InChIInChI=1S/C8H9NO2S/c1-4-2-5(4)7-9-3-6(12-7)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChIKeyFPEDRRXNYZVLCJ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tizoprolic Acid
CID 65773
5-Thiazolecarboxylic acid, 2-methyl-
CID 98845
5-Thiazolecarboxylic acid, 2-ethyl-
CID 207755
2-Acetyl-1,3-thiazole-5-carboxylic acid
CID 49853468
2-(1,1-Dimethylethyl)-5-thiazolecarboxylic acid
CID 19885529
2-Methoxy-1,3-thiazole-5-carboxylic acid
CID 16494897
2-(Propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 19786342
2-Cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 43156427
2-(Oxan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62384828
2-Cyclobutyl-1,3-thiazole-5-carboxylic acid
CID 64982499
2-(Cyclopropylmethyl)-1,3-thiazole-5-carboxylic acid
CID 80484484
2-(2,2-Dimethylpropyl)-1,3-thiazole-5-carboxylic acid
CID 63889997

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid (CID 65421023) is 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid is CC1CC1c1ncc(C(=O)O)s1.
What is the InChIKey of 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is FPEDRRXNYZVLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-4-2-5(4)7-9-3-6(12-7)8(10)11/h3-5H,2H2,1H3,(H,10,11).
What are the key properties of 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid?
2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 65421023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).