1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid

C9H11NO3S — CID 96612609

IUPAC1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCOCc1cc(C2(C(=O)O)CC2)sn1
InChIInChI=1S/C9H11NO3S/c1-13-5-6-4-7(14-10-6)9(2-3-9)8(11)12/h4H,2-3,5H2,1H3,(H,11,12)
InChIKeyKBNGGEJMFHUOKI-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.41
Rot. Bonds4

About 1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid

1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 96612609) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID96612609
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid
SMILESCOCc1cc(C2(C(=O)O)CC2)sn1
InChIInChI=1S/C9H11NO3S/c1-13-5-6-4-7(14-10-6)9(2-3-9)8(11)12/h4H,2-3,5H2,1H3,(H,11,12)
InChIKeyKBNGGEJMFHUOKI-UHFFFAOYSA-N
XLogP1.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic 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

1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclobutane-1-carboxylic acid
CID 96602541
3-(methoxymethyl)-1,2-thiazole-5-carboxylic acid
CID 82372956
1-[3-methoxy-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117344792
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117321555
1-(4-bromo-5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 84806704
1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylic acid
CID 123465513
1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117428758
1-[5-bromo-2-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117481795
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117383760
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117419802
1-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117424259
1-(2-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 83703234

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid (CID 96612609) is 1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid is COCc1cc(C2(C(=O)O)CC2)sn1.
What is the InChIKey of 1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is KBNGGEJMFHUOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-13-5-6-4-7(14-10-6)9(2-3-9)8(11)12/h4H,2-3,5H2,1H3,(H,11,12).
What are the key properties of 1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid?
1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-1,2-thiazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 96612609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).