2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid

C9H11NO2S — CID 82670514

IUPAC2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)=Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C9H11NO2S/c1-6(2)3-8-10-7(5-13-8)4-9(11)12/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyKAYNSIQDVSPLIJ-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.19
Rot. Bonds3

About 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 82670514) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID82670514
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)=Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C9H11NO2S/c1-6(2)3-8-10-7(5-13-8)4-9(11)12/h3,5H,4H2,1-2H3,(H,11,12)
InChIKeyKAYNSIQDVSPLIJ-UHFFFAOYSA-N
XLogP2.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(Z)-2-methylbut-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 115909600
2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]ethanamine
CID 82668915
2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]acetic acid
CID 6447756
2-[2-(2-methylprop-2-enyl)-1,3-thiazol-4-yl]acetic acid
CID 82054960
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]acetic acid
CID 84779358
2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetic acid
CID 59238394
2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid
CID 83876777
2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
CID 62313602
2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 11286886
2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
CID 63892978
2-[2-(3-chloro-2-methylprop-2-enyl)sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 106436708

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid (CID 82670514) is 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid is CC(C)=Cc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is KAYNSIQDVSPLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6(2)3-8-10-7(5-13-8)4-9(11)12/h3,5H,4H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 197.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-1-enyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82670514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).