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

C9H11NO2S — CID 64982497

IUPAC2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCC2)sc1C(=O)O
InChIInChI=1S/C9H11NO2S/c1-5-7(9(11)12)13-8(10-5)6-3-2-4-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyYDGMUOHBNDVBFL-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.42
Rot. Bonds2

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

2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 64982497) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID64982497
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C2CCC2)sc1C(=O)O
InChIInChI=1S/C9H11NO2S/c1-5-7(9(11)12)13-8(10-5)6-3-2-4-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyYDGMUOHBNDVBFL-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65394954
2-(1-ethylpiperidin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91811972
4-methyl-2-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 80620012
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39403538
4-methyl-2-pyrrolidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 121199781
4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 114359413
4-methyl-2-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 176654966
1-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176594
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 111470063
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658
2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 22494322
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid (CID 64982497) is 2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(C2CCC2)sc1C(=O)O.
What is the InChIKey of 2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YDGMUOHBNDVBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-5-7(9(11)12)13-8(10-5)6-3-2-4-6/h6H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid?
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 64982497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).