methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate

C11H13NO3S2 — CID 3873645

IUPACmethyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate
SMILESCOC(=O)CCN1C(=O)CSC1c1cccs1
InChIInChI=1S/C11H13NO3S2/c1-15-10(14)4-5-12-9(13)7-17-11(12)8-3-2-6-16-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyNRPYGNUTDDRPHS-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.89
Rot. Bonds4

About methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate

methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate (PubChem CID 3873645) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate
PubChem CID3873645
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Namemethyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate
SMILESCOC(=O)CCN1C(=O)CSC1c1cccs1
InChIInChI=1S/C11H13NO3S2/c1-15-10(14)4-5-12-9(13)7-17-11(12)8-3-2-6-16-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyNRPYGNUTDDRPHS-UHFFFAOYSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate?
The IUPAC name of methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate (CID 3873645) is methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate.
What is the SMILES notation for methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate?
The canonical SMILES for methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate is COC(=O)CCN1C(=O)CSC1c1cccs1.
What is the InChIKey of methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate?
The InChIKey is NRPYGNUTDDRPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c1-15-10(14)4-5-12-9(13)7-17-11(12)8-3-2-6-16-8/h2-3,6,11H,4-5,7H2,1H3.
What are the key properties of methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate?
methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate has a molecular weight of 271.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate is sourced from PubChem (CID 3873645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).