2-(4-methyl-1,3-thiazol-2-yl)butanoic acid

C8H11NO2S — CID 66752054

IUPAC2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1nc(C)cs1
InChIInChI=1S/C8H11NO2S/c1-3-6(8(10)11)7-9-5(2)4-12-7/h4,6H,3H2,1-2H3,(H,10,11)
InChIKeyLKDXPWCBXITIAG-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.03
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-2-yl)butanoic acid

2-(4-methyl-1,3-thiazol-2-yl)butanoic acid (PubChem CID 66752054) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
PubChem CID66752054
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1nc(C)cs1
InChIInChI=1S/C8H11NO2S/c1-3-6(8(10)11)7-9-5(2)4-12-7/h4,6H,3H2,1-2H3,(H,10,11)
InChIKeyLKDXPWCBXITIAG-UHFFFAOYSA-N
XLogP2.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 63196473
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanoic acid
CID 116967198
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 83041636
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65224255
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate
CID 104771637
2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770718
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 93057158
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)butanoic acid?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)butanoic acid (CID 66752054) is 2-(4-methyl-1,3-thiazol-2-yl)butanoic acid.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)butanoic acid?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)butanoic acid is CCC(C(=O)O)c1nc(C)cs1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)butanoic acid?
The InChIKey is LKDXPWCBXITIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-6(8(10)11)7-9-5(2)4-12-7/h4,6H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)butanoic acid?
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid has a molecular weight of 185.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)butanoic acid is sourced from PubChem (CID 66752054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).