4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid

C8H9NO2S — CID 105440602

IUPAC4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid
SMILESCc1sc(C(=O)O)nc1C1CC1
InChIInChI=1S/C8H9NO2S/c1-4-6(5-2-3-5)9-7(12-4)8(10)11/h5H,2-3H2,1H3,(H,10,11)
InChIKeyJJLFIVHYSFITPJ-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.03
Rot. Bonds2

About 4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid

4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid (PubChem CID 105440602) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid
PubChem CID105440602
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid
SMILESCc1sc(C(=O)O)nc1C1CC1
InChIInChI=1S/C8H9NO2S/c1-4-6(5-2-3-5)9-7(12-4)8(10)11/h5H,2-3H2,1H3,(H,10,11)
InChIKeyJJLFIVHYSFITPJ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-cyclopropyl-1,3-thiazole-2-carboxylic acid
CID 83679237
1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone
CID 130503595
2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
CID 116865686
2-amino-3-(4-cyclobutyl-5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 116868149
N-(4-cyclopropyl-5-methyl-1,3-thiazol-2-yl)-2-hydroxy-2,2-diphenylacetamide
CID 167959663
2-(azetidin-3-yl)-4-cyclopropyl-5-methyl-1,3-thiazole
CID 105448610
4-cyclopropyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105433312
6-cyclopropyl-5-methylpyridine-2-carboxylic acid
CID 118990646
2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 116533656
2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 63918554
2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 105484003
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid (CID 105440602) is 4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid is Cc1sc(C(=O)O)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is JJLFIVHYSFITPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-4-6(5-2-3-5)9-7(12-4)8(10)11/h5H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid?
4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 105440602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).