2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid

C9H11NO2S — CID 82398845

IUPAC2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid
SMILESCc1cc(C2(CC(=O)O)CC2)sn1
InChIInChI=1S/C9H11NO2S/c1-6-4-7(13-10-6)9(2-3-9)5-8(11)12/h4H,2-3,5H2,1H3,(H,11,12)
InChIKeyTUMIVLQAYAWXDD-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.96
Rot. Bonds3

About 2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid

2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid (PubChem CID 82398845) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid
PubChem CID82398845
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid
SMILESCc1cc(C2(CC(=O)O)CC2)sn1
InChIInChI=1S/C9H11NO2S/c1-6-4-7(13-10-6)9(2-3-9)5-8(11)12/h4H,2-3,5H2,1H3,(H,11,12)
InChIKeyTUMIVLQAYAWXDD-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]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

Related Compounds

2,2-Difluoro-3-(3-methyl-1,2-thiazol-5-yl)propanoic acid
CID 165463783
3-Methyl-2-(3-methyl-1,2-thiazol-5-yl)butanoic acid
CID 126985703
2-(3-Tert-butyl-1,2-thiazol-5-yl)acetic acid
CID 82372987
2-(3-Ethyl-1,2-thiazol-5-yl)acetic acid
CID 82372988
2-(3-Propan-2-yl-1,2-thiazol-5-yl)acetic acid
CID 82372989
2-[3-(2-Methylpropyl)-1,2-thiazol-5-yl]acetic acid
CID 82372990
2-(3-Cyclopropyl-1,2-thiazol-5-yl)acetic acid
CID 82372992
2-(3-Propan-2-yl-1,2-thiazol-5-yl)propanoic acid
CID 82397722
2-Cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
CID 82398842
4-(3-Methyl-1,2-thiazol-5-yl)butanoic acid
CID 82406155
2-Methyl-2-(3-methyl-1,2-thiazol-5-yl)propanoic acid
CID 82406156
3-(5-Methyl-1,2-thiazol-3-yl)propanoic acid
CID 82412104

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid (CID 82398845) is 2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid is Cc1cc(C2(CC(=O)O)CC2)sn1.
What is the InChIKey of 2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid?
The InChIKey is TUMIVLQAYAWXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6-4-7(13-10-6)9(2-3-9)5-8(11)12/h4H,2-3,5H2,1H3,(H,11,12).
What are the key properties of 2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid?
2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid has a molecular weight of 197.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-1,2-thiazol-5-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 82398845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).