2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid

C12H13NO2S2 — CID 116887132

IUPAC2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid
SMILESCCC(C(=O)O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C12H13NO2S2/c1-3-8(12(14)15)10-7(2)13-11(17-10)9-5-4-6-16-9/h4-6,8H,3H2,1-2H3,(H,14,15)
InChIKeyWKUHSQUGTCXNEV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.76
Rot. Bonds4

About 2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid

2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid (PubChem CID 116887132) has the molecular formula C12H13NO2S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid
PubChem CID116887132
Molecular FormulaC12H13NO2S2
Molecular Weight267.37 g/mol
Exact Mass267.04
IUPAC Name2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid
SMILESCCC(C(=O)O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C12H13NO2S2/c1-3-8(12(14)15)10-7(2)13-11(17-10)9-5-4-6-16-9/h4-6,8H,3H2,1-2H3,(H,14,15)
InChIKeyWKUHSQUGTCXNEV-UHFFFAOYSA-N
XLogP3.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine
CID 116884789
(2S)-2-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107563777
2-methoxy-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 106107082
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
2-(3-methylthiophen-2-yl)butanoic acid
CID 79991313
5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 82081726
2-thiophen-2-ylbutanoic acid;hydrochloride
CID 141021688
5-methoxy-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 116887500
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid
CID 175445170
[1-(ethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 18199433
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid?
The IUPAC name of 2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid (CID 116887132) is 2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid.
What is the SMILES notation for 2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid?
The canonical SMILES for 2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid is CCC(C(=O)O)c1sc(-c2cccs2)nc1C.
What is the InChIKey of 2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid?
The InChIKey is WKUHSQUGTCXNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-3-8(12(14)15)10-7(2)13-11(17-10)9-5-4-6-16-9/h4-6,8H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid?
2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid has a molecular weight of 267.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butanoic acid is sourced from PubChem (CID 116887132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).