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

C7H14N2S — CID 21475745

IUPAC3-butyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCCC
InChIInChI=1S/C7H14N2S/c1-2-3-4-9-5-6-10-7(9)8/h8H,2-6H2,1H3/b8-7-
InChIKeyDASPJCWFJYSBGG-FPLPWBNLSA-N
MW158.27 g/mol
LogP1.77
Rot. Bonds3

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

3-butyl-1,3-thiazolidin-2-imine (PubChem CID 21475745) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-butyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-butyl-1,3-thiazolidin-2-imine
PubChem CID21475745
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name3-butyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCCC
InChIInChI=1S/C7H14N2S/c1-2-3-4-9-5-6-10-7(9)8/h8H,2-6H2,1H3/b8-7-
InChIKeyDASPJCWFJYSBGG-FPLPWBNLSA-N
XLogP1.77
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1,3-thiazolidin-2-imine Hydroiodide
CID 2770507
3-Methyl-2-thiazolidinimine
CID 77318
3-Propyl-1,3-thiazolidin-2-imine;hydrobromide
CID 90654238
2-Imino-3,5-dimethylthiazolidine
CID 5131681
Pseudourea, 2-(2-(pyrrolidinyl)ethyl)-2-thio-, dihydrochloride
CID 116325
Thiazolium, 4,5-dihydro-2-amino-3-methyl-, bromide
CID 205098
Thiazolium, 4-5-dihydro-2-amino-3-ethyl-, bromide
CID 216946
3-Ethyl-1,3-thiazolidin-2-imine
CID 216947
3-(3-Fluoropropyl)-1,3-thiazolidin-2-imine
CID 57035099
3-(3,3,3-Trifluoropropyl)-1,3-thiazolidin-2-imine
CID 67812852
Methyl 3-fluoropyrrolidine-1-carboximidothioate
CID 123348675
methyl (3R)-3-fluoropyrrolidine-1-carboximidothioate
CID 144377843

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-butyl-1,3-thiazolidin-2-imine (CID 21475745) is 3-butyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-butyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-butyl-1,3-thiazolidin-2-imine is [H]/N=C1\SCCN1CCCC.
What is the InChIKey of 3-butyl-1,3-thiazolidin-2-imine?
The InChIKey is DASPJCWFJYSBGG-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H14N2S/c1-2-3-4-9-5-6-10-7(9)8/h8H,2-6H2,1H3/b8-7-.
What are the key properties of 3-butyl-1,3-thiazolidin-2-imine?
3-butyl-1,3-thiazolidin-2-imine has a molecular weight of 158.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 21475745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).