3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid

C11H11NO2S2 — CID 103485281

IUPAC3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCc1ccsc1-c1nc(CCC(=O)O)cs1
InChIInChI=1S/C11H11NO2S2/c1-7-4-5-15-10(7)11-12-8(6-16-11)2-3-9(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyUUAPRBCGNTWVEJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.20
Rot. Bonds4

About 3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid

3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103485281) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103485281
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCc1ccsc1-c1nc(CCC(=O)O)cs1
InChIInChI=1S/C11H11NO2S2/c1-7-4-5-15-10(7)11-12-8(6-16-11)2-3-9(13)14/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyUUAPRBCGNTWVEJ-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61282401
N-methyl-1-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61280489
3-[2-(5-methylpyrimidin-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485662
2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile
CID 116890031
3-[2-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485287
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485219
3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485307
3-[2-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 82501467
3-[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485544
3-[2-(2-methyl-1-benzofuran-3-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485214
3-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]propanoic acid
CID 116878655
3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485574

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid (CID 103485281) is 3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid is Cc1ccsc1-c1nc(CCC(=O)O)cs1.
What is the InChIKey of 3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is UUAPRBCGNTWVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-7-4-5-15-10(7)11-12-8(6-16-11)2-3-9(13)14/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 253.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103485281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).