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

C9H13NO2S — CID 105452273

IUPAC2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid
SMILESCC(C)Cc1csc(CC(=O)O)n1
InChIInChI=1S/C9H13NO2S/c1-6(2)3-7-5-13-8(10-7)4-9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyOMHCRCSTYFAMGF-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.97
Rot. Bonds4

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

2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 105452273) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid
PubChem CID105452273
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid
SMILESCC(C)Cc1csc(CC(=O)O)n1
InChIInChI=1S/C9H13NO2S/c1-6(2)3-7-5-13-8(10-7)4-9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyOMHCRCSTYFAMGF-UHFFFAOYSA-N
XLogP1.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid (CID 105452273) is 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid is CC(C)Cc1csc(CC(=O)O)n1.
What is the InChIKey of 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is OMHCRCSTYFAMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6(2)3-7-5-13-8(10-7)4-9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 199.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 105452273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).