N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine

C9H18N2OS — CID 135934666

IUPACN-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCOCCC/N=C1/NC(C)(C)CS1
InChIInChI=1S/C9H18N2OS/c1-9(2)7-13-8(11-9)10-5-4-6-12-3/h4-7H2,1-3H3,(H,10,11)
InChIKeyZZAZMZNQSKXWAQ-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.49
Rot. Bonds4

About N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine

N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 135934666) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID135934666
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCOCCC/N=C1/NC(C)(C)CS1
InChIInChI=1S/C9H18N2OS/c1-9(2)7-13-8(11-9)10-5-4-6-12-3/h4-7H2,1-3H3,(H,10,11)
InChIKeyZZAZMZNQSKXWAQ-UHFFFAOYSA-N
XLogP1.49
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 135934666) is N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine is COCCC/N=C1/NC(C)(C)CS1.
What is the InChIKey of N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is ZZAZMZNQSKXWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-9(2)7-13-8(11-9)10-5-4-6-12-3/h4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 202.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).