N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine

C12H23N3OS — CID 136871672

IUPACN-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\CCN2CCOCC2)N1
InChIInChI=1S/C12H23N3OS/c1-10(2)11-9-17-12(14-11)13-3-4-15-5-7-16-8-6-15/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyCNVWXZOIEJWBHC-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.04
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine

N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136871672) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136871672
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\CCN2CCOCC2)N1
InChIInChI=1S/C12H23N3OS/c1-10(2)11-9-17-12(14-11)13-3-4-15-5-7-16-8-6-15/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyCNVWXZOIEJWBHC-UHFFFAOYSA-N
XLogP1.04
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.04
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

5-Isopropyl-2-[(2-morpholin-4-ylethyl)amino]-1,3-thiazol-4(5H)-one
CID 135481724
5-methyl-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439981
4-ethyl-N-(1-morpholin-4-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 54965081
N-(1-morpholin-4-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61504347
N-(1-morpholin-4-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 61504389
5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61504426
4-methyl-N-(1-morpholin-4-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61504427
4-(2-methylpropyl)-N-(1-morpholin-4-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61504464
5-cyclopropyl-N-(1-morpholin-4-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296169
N'-(2-methoxyethyl)-N'-methyl-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)ethane-1,2-diamine
CID 65035542
5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036003
5-methyl-N-(3-morpholin-4-ylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036363

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136871672) is N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is CC(C)C1CS/C(=N\CCN2CCOCC2)N1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is CNVWXZOIEJWBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-10(2)11-9-17-12(14-11)13-3-4-15-5-7-16-8-6-15/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 257.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136871672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).