methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate

C11H15NO3S2 — CID 107777752

IUPACmethyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)Cc2cncs2)CC1
InChIInChI=1S/C11H15NO3S2/c1-15-10(13)4-11(2-3-11)7-17(14)6-9-5-12-8-16-9/h5,8H,2-4,6-7H2,1H3
InChIKeyCRDWBFILKREWMP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.74
Rot. Bonds6

About methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate

methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate (PubChem CID 107777752) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate
PubChem CID107777752
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Namemethyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)Cc2cncs2)CC1
InChIInChI=1S/C11H15NO3S2/c1-15-10(13)4-11(2-3-11)7-17(14)6-9-5-12-8-16-9/h5,8H,2-4,6-7H2,1H3
InChIKeyCRDWBFILKREWMP-UHFFFAOYSA-N
XLogP1.74
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate 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 methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate (CID 107777752) is methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate is COC(=O)CC1(CS(=O)Cc2cncs2)CC1.
What is the InChIKey of methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate?
The InChIKey is CRDWBFILKREWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-15-10(13)4-11(2-3-11)7-17(14)6-9-5-12-8-16-9/h5,8H,2-4,6-7H2,1H3.
What are the key properties of methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate?
methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate has a molecular weight of 273.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107777752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).