5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one

C16H24N2OS — CID 135783330

IUPAC5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one
SMILESCCCC1(C)S/C(=N/C23CC4CC(CC2C4)C3)NC1=O
InChIInChI=1S/C16H24N2OS/c1-3-4-15(2)13(19)17-14(20-15)18-16-8-10-5-11(9-16)7-12(16)6-10/h10-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyMHAULOOPSFGBFE-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.34
Rot. Bonds3

About 5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one

5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one (PubChem CID 135783330) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one
PubChem CID135783330
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one
SMILESCCCC1(C)S/C(=N/C23CC4CC(CC2C4)C3)NC1=O
InChIInChI=1S/C16H24N2OS/c1-3-4-15(2)13(19)17-14(20-15)18-16-8-10-5-11(9-16)7-12(16)6-10/h10-12H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyMHAULOOPSFGBFE-UHFFFAOYSA-N
XLogP3.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one (CID 135783330) is 5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one is CCCC1(C)S/C(=N/C23CC4CC(CC2C4)C3)NC1=O.
What is the InChIKey of 5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one?
The InChIKey is MHAULOOPSFGBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-4-15(2)13(19)17-14(20-15)18-16-8-10-5-11(9-16)7-12(16)6-10/h10-12H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one?
5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one has a molecular weight of 292.45 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135783330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).