2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one

C16H20N2O3S — CID 2730112

IUPAC2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CS/C2=N\C2CC2)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-20-13-6-3-11(9-14(13)21-2)7-8-18-15(19)10-22-16(18)17-12-4-5-12/h3,6,9,12H,4-5,7-8,10H2,1-2H3/b17-16-
InChIKeyGWBWMIXYIDZKDA-MSUUIHNZSA-N
MW320.41 g/mol
LogP2.34
Rot. Bonds6

About 2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one

2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 2730112) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID2730112
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CCN2C(=O)CS/C2=N\C2CC2)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-20-13-6-3-11(9-14(13)21-2)7-8-18-15(19)10-22-16(18)17-12-4-5-12/h3,6,9,12H,4-5,7-8,10H2,1-2H3/b17-16-
InChIKeyGWBWMIXYIDZKDA-MSUUIHNZSA-N
XLogP2.34
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one (CID 2730112) is 2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one is COc1ccc(CCN2C(=O)CS/C2=N\C2CC2)cc1OC.
What is the InChIKey of 2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is GWBWMIXYIDZKDA-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-20-13-6-3-11(9-14(13)21-2)7-8-18-15(19)10-22-16(18)17-12-4-5-12/h3,6,9,12H,4-5,7-8,10H2,1-2H3/b17-16-.
What are the key properties of 2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one?
2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 320.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylimino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2730112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).