3-butyl-5-propyl-1,3-thiazolidin-2-imine

C10H20N2S — CID 67282068

IUPAC3-butyl-5-propyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SC(CCC)CN1CCCC
InChIInChI=1S/C10H20N2S/c1-3-5-7-12-8-9(6-4-2)13-10(12)11/h9,11H,3-8H2,1-2H3/b11-10-
InChIKeyBWFDXKBHOFJIFW-KHPPLWFESA-N
MW200.35 g/mol
LogP2.94
Rot. Bonds5

About 3-butyl-5-propyl-1,3-thiazolidin-2-imine

3-butyl-5-propyl-1,3-thiazolidin-2-imine (PubChem CID 67282068) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-butyl-5-propyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-butyl-5-propyl-1,3-thiazolidin-2-imine
PubChem CID67282068
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name3-butyl-5-propyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SC(CCC)CN1CCCC
InChIInChI=1S/C10H20N2S/c1-3-5-7-12-8-9(6-4-2)13-10(12)11/h9,11H,3-8H2,1-2H3/b11-10-
InChIKeyBWFDXKBHOFJIFW-KHPPLWFESA-N
XLogP2.94
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-propyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-butyl-5-propyl-1,3-thiazolidin-2-imine (CID 67282068) is 3-butyl-5-propyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-butyl-5-propyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-butyl-5-propyl-1,3-thiazolidin-2-imine is [H]/N=C1\SC(CCC)CN1CCCC.
What is the InChIKey of 3-butyl-5-propyl-1,3-thiazolidin-2-imine?
The InChIKey is BWFDXKBHOFJIFW-KHPPLWFESA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-5-7-12-8-9(6-4-2)13-10(12)11/h9,11H,3-8H2,1-2H3/b11-10-.
What are the key properties of 3-butyl-5-propyl-1,3-thiazolidin-2-imine?
3-butyl-5-propyl-1,3-thiazolidin-2-imine has a molecular weight of 200.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-propyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 67282068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).