methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate

C7H9NO2S2 — CID 15093272

IUPACmethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate
SMILESCOC(=O)CCSc1cncs1
InChIInChI=1S/C7H9NO2S2/c1-10-6(9)2-3-11-7-4-8-5-12-7/h4-5H,2-3H2,1H3
InChIKeyYJOZJEDZPKULRK-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.80
Rot. Bonds4

About methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate

methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate (PubChem CID 15093272) has the molecular formula C7H9NO2S2 and a molecular weight of 203.29 g/mol. Its IUPAC name is methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate
PubChem CID15093272
Molecular FormulaC7H9NO2S2
Molecular Weight203.29 g/mol
Exact Mass203.01
IUPAC Namemethyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate
SMILESCOC(=O)CCSc1cncs1
InChIInChI=1S/C7H9NO2S2/c1-10-6(9)2-3-11-7-4-8-5-12-7/h4-5H,2-3H2,1H3
InChIKeyYJOZJEDZPKULRK-UHFFFAOYSA-N
XLogP1.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate?
The IUPAC name of methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate (CID 15093272) is methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate.
What is the SMILES notation for methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate?
The canonical SMILES for methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate is COC(=O)CCSc1cncs1.
What is the InChIKey of methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate?
The InChIKey is YJOZJEDZPKULRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2/c1-10-6(9)2-3-11-7-4-8-5-12-7/h4-5H,2-3H2,1H3.
What are the key properties of methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate?
methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate has a molecular weight of 203.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-thiazol-5-ylsulfanyl)propanoate is sourced from PubChem (CID 15093272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).