methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate

C7H9NO2S2 — CID 23256809

IUPACmethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate
SMILESCOC(=O)C(C)n1ccsc1=S
InChIInChI=1S/C7H9NO2S2/c1-5(6(9)10-2)8-3-4-12-7(8)11/h3-5H,1-2H3
InChIKeyUKCFSOLMCKXVLD-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.01
Rot. Bonds2

About methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate

methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate (PubChem CID 23256809) has the molecular formula C7H9NO2S2 and a molecular weight of 203.29 g/mol. Its IUPAC name is methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate
PubChem CID23256809
Molecular FormulaC7H9NO2S2
Molecular Weight203.29 g/mol
Exact Mass203.01
IUPAC Namemethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate
SMILESCOC(=O)C(C)n1ccsc1=S
InChIInChI=1S/C7H9NO2S2/c1-5(6(9)10-2)8-3-4-12-7(8)11/h3-5H,1-2H3
InChIKeyUKCFSOLMCKXVLD-UHFFFAOYSA-N
XLogP2.01
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Ycizlnjnfxttjq-uhfffaoysa-
CID 336870
2-(2-Sulfanylidene-1,3-thiazol-3-yl)propanoic acid
CID 21816495
methyl 2-(2H-1,3-thiazol-3-yl)acetate
CID 21760629
ethyl 2-(2H-1,3-thiazol-3-yl)propanoate
CID 140108167
Ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate
CID 151917928
methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide
CID 173084083
methyl (2R)-2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)propanoate
CID 92147408
methyl (2S)-2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)propanoate
CID 92299276
Ethyl 2,3-dimethyl-1,3-thiazole-2-carboxylate
CID 174900569

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate?
The IUPAC name of methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate (CID 23256809) is methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate is COC(=O)C(C)n1ccsc1=S.
What is the InChIKey of methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate?
The InChIKey is UKCFSOLMCKXVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2/c1-5(6(9)10-2)8-3-4-12-7(8)11/h3-5H,1-2H3.
What are the key properties of methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate?
methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate has a molecular weight of 203.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 23256809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).