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

C15H22N2OS — CID 135783329

IUPAC5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one
SMILESCCC1(C)S/C(=N/C23CC4CC(CC2C4)C3)NC1=O
InChIInChI=1S/C15H22N2OS/c1-3-14(2)12(18)16-13(19-14)17-15-7-9-4-10(8-15)6-11(15)5-9/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyNKXZODWCNYSDGW-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.95
Rot. Bonds2

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

5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one (PubChem CID 135783329) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one
PubChem CID135783329
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one
SMILESCCC1(C)S/C(=N/C23CC4CC(CC2C4)C3)NC1=O
InChIInChI=1S/C15H22N2OS/c1-3-14(2)12(18)16-13(19-14)17-15-7-9-4-10(8-15)6-11(15)5-9/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyNKXZODWCNYSDGW-UHFFFAOYSA-N
XLogP2.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

Amg-221
CID 135565424
2-{Bicyclo[2.2.1]heptan-1-ylamino}-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783325
2-{Bicyclo[2.2.1]heptan-1-ylamino}-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783326
5-Methyl-5-propyl-2-{tricyclo[3.3.1.0^{3,7}]nonan-3-ylamino}-4,5-dihydro-1,3-thiazol-4-one
CID 135783330
5,5-Diethyl-2-{tricyclo[3.3.1.0^{3,7}]nonan-3-ylamino}-4,5-dihydro-1,3-thiazol-4-one
CID 135783334
2-(hexahydro-2,5-methanopentalen-3a(1H)-ylamino)-1-thia-3-azaspiro[4.4]non-2-en-4-one
CID 135783335
(R,S)-2-((+/-)-exo-Bicyclo[2.2.1]heptan-2-ylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
CID 135890089
(S)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
CID 135890090
(R)-2-((1S,2S,4R)-Bicyclo[2.2.1]heptan-2-ylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
CID 135890091
(R)-2-((1R,2R,4S)-Bicyclo[2.2.1]heptan-2-ylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
CID 135890092
(5S)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(114C)methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136961875
(5S)-2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135956978

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one (CID 135783329) is 5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one is CCC1(C)S/C(=N/C23CC4CC(CC2C4)C3)NC1=O.
What is the InChIKey of 5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one?
The InChIKey is NKXZODWCNYSDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-14(2)12(18)16-13(19-14)17-15-7-9-4-10(8-15)6-11(15)5-9/h9-11H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one?
5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one has a molecular weight of 278.42 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135783329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).