2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one

C14H24N2OS — CID 135783320

IUPAC2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1(C)S/C(=N/C2CCCCCC2)NC1=O
InChIInChI=1S/C14H24N2OS/c1-3-10-14(2)12(17)16-13(18-14)15-11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyPQXVEAATFKMFDU-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.49
Rot. Bonds3

About 2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one

2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one (PubChem CID 135783320) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one
PubChem CID135783320
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1(C)S/C(=N/C2CCCCCC2)NC1=O
InChIInChI=1S/C14H24N2OS/c1-3-10-14(2)12(17)16-13(18-14)15-11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyPQXVEAATFKMFDU-UHFFFAOYSA-N
XLogP3.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclooctylamino)-1-thia-3-azaspiro[4.4]non-2-en-4-one
CID 135399889
2-(Cyclohexylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783315
2-(Cyclohexylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783316
2-[(Cyclohexylmethyl)amino]-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783317
2-[(Cyclohexylmethyl)amino]-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783318
2-(Cycloheptylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783319
2-(Cyclooctylamino)-5-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783321
2-(Cyclooctylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783322
5-Methyl-5-propyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-4,5-dihydro-1,3-thiazol-4-one
CID 135783324
2-(Cyclooctylamino)-5,5-diethyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783333
(5S)-2-(Cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one
CID 135566419
2-Cycloheptylimino-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
CID 135989251

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one (CID 135783320) is 2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one is CCCC1(C)S/C(=N/C2CCCCCC2)NC1=O.
What is the InChIKey of 2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is PQXVEAATFKMFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-10-14(2)12(17)16-13(18-14)15-11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one?
2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 268.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135783320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).