4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine

C13H21N3S2 — CID 136908728

IUPAC4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CCc2csc(C)n2)N1
InChIInChI=1S/C13H21N3S2/c1-4-13(5-2)9-18-12(16-13)14-7-6-11-8-17-10(3)15-11/h8H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyYDRDKPXFULDAFC-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.25
Rot. Bonds5

About 4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine

4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine (PubChem CID 136908728) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine
PubChem CID136908728
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CCc2csc(C)n2)N1
InChIInChI=1S/C13H21N3S2/c1-4-13(5-2)9-18-12(16-13)14-7-6-11-8-17-10(3)15-11/h8H,4-7,9H2,1-3H3,(H,14,16)
InChIKeyYDRDKPXFULDAFC-UHFFFAOYSA-N
XLogP3.25
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136908739
4,4-diethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine
CID 136824830
2-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 130512401
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 136954513
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide
CID 106043202
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide
CID 106043191
4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine
CID 136762681
4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64944057
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine
CID 106052386
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 83074139

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine (CID 136908728) is 4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine is CCC1(CC)CS/C(=N\CCc2csc(C)n2)N1.
What is the InChIKey of 4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine?
The InChIKey is YDRDKPXFULDAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-4-13(5-2)9-18-12(16-13)14-7-6-11-8-17-10(3)15-11/h8H,4-7,9H2,1-3H3,(H,14,16).
What are the key properties of 4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine?
4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine has a molecular weight of 283.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136908728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).