2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one

C15H28N2OS — CID 136503104

IUPAC2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one
SMILESCCC1(CC)S/C(=N\[C@@H](CC(C)C)C(C)C)NC1=O
InChIInChI=1S/C15H28N2OS/c1-7-15(8-2)13(18)17-14(19-15)16-12(11(5)6)9-10(3)4/h10-12H,7-9H2,1-6H3,(H,16,17,18)/t12-/m0/s1
InChIKeyBDZWLXLGKOFLKB-LBPRGKRZSA-N
MW284.47 g/mol
LogP3.83
Rot. Bonds6

About 2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one

2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one (PubChem CID 136503104) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one
PubChem CID136503104
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one
SMILESCCC1(CC)S/C(=N\[C@@H](CC(C)C)C(C)C)NC1=O
InChIInChI=1S/C15H28N2OS/c1-7-15(8-2)13(18)17-14(19-15)16-12(11(5)6)9-10(3)4/h10-12H,7-9H2,1-6H3,(H,16,17,18)/t12-/m0/s1
InChIKeyBDZWLXLGKOFLKB-LBPRGKRZSA-N
XLogP3.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.83
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-(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-(Cycloheptylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783320
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-Ethyl-5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-4,5-dihydro-1,3-thiazol-4-one
CID 135783323
5-Ethyl-5-methyl-2-(7-norbornylamino)-1,3-thiazol-4(5H)-one
CID 135783327
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one (CID 136503104) is 2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one is CCC1(CC)S/C(=N\[C@@H](CC(C)C)C(C)C)NC1=O.
What is the InChIKey of 2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one?
The InChIKey is BDZWLXLGKOFLKB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-7-15(8-2)13(18)17-14(19-15)16-12(11(5)6)9-10(3)4/h10-12H,7-9H2,1-6H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of 2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one?
2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one has a molecular weight of 284.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 136503104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).