5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one

C9H16N2OS — CID 146674348

IUPAC5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(CC)(CC(C)C)S1
InChIInChI=1S/C9H16N2OS/c1-4-9(5-6(2)3)7(12)11-8(10)13-9/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyNFOPGQVHPIOFBR-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.98
Rot. Bonds3

About 5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one

5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 146674348) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID146674348
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(CC)(CC(C)C)S1
InChIInChI=1S/C9H16N2OS/c1-4-9(5-6(2)3)7(12)11-8(10)13-9/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyNFOPGQVHPIOFBR-UHFFFAOYSA-N
XLogP1.98
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one
CID 143147006
5-ethyl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388406
5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one
CID 138390658
5-ethyl-4-imino-5-propan-2-yl-1-propylimidazolidin-2-one
CID 138388683
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;hydrofluoride
CID 70470534
5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione
CID 56690465
(5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione
CID 135564835
5,5-dipropyl-1,3-thiazolidine-2,4-dione
CID 71323446
2,2,5,5-tetraethyl-1,3-thiazolidin-4-one
CID 121218229
5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one
CID 138389691
5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
CID 3050733
5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one
CID 138388444

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 146674348) is 5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)C(CC)(CC(C)C)S1.
What is the InChIKey of 5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is NFOPGQVHPIOFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-4-9(5-6(2)3)7(12)11-8(10)13-9/h6H,4-5H2,1-3H3,(H2,10,11,12).
What are the key properties of 5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one?
5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 200.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 146674348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).