methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate

C12H12N2O2S2 — CID 1473964

IUPACmethyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate
SMILESCOC(=O)[C@@H](C)Sc1snnc1-c1ccccc1
InChIInChI=1S/C12H12N2O2S2/c1-8(11(15)16-2)17-12-10(13-14-18-12)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m1/s1
InChIKeyLIHAOXHUFBVVMF-MRVPVSSYSA-N
MW280.37 g/mol
LogP2.86
Rot. Bonds4

About methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate

methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate (PubChem CID 1473964) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate
PubChem CID1473964
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Namemethyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate
SMILESCOC(=O)[C@@H](C)Sc1snnc1-c1ccccc1
InChIInChI=1S/C12H12N2O2S2/c1-8(11(15)16-2)17-12-10(13-14-18-12)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m1/s1
InChIKeyLIHAOXHUFBVVMF-MRVPVSSYSA-N
XLogP2.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate 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 (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate?
The IUPAC name of methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate (CID 1473964) is methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate.
What is the SMILES notation for methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate?
The canonical SMILES for methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate is COC(=O)[C@@H](C)Sc1snnc1-c1ccccc1.
What is the InChIKey of methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate?
The InChIKey is LIHAOXHUFBVVMF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-8(11(15)16-2)17-12-10(13-14-18-12)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate?
methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate has a molecular weight of 280.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-phenylthiadiazol-5-yl)sulfanylpropanoate is sourced from PubChem (CID 1473964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).