ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine

C8H18N2S — CID 143466063

IUPACethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine
SMILESC/N=C1/NC(C)(C)CS1.CC
InChIInChI=1S/C6H12N2S.C2H6/c1-6(2)4-9-5(7-3)8-6;1-2/h4H2,1-3H3,(H,7,8);1-2H3
InChIKeyMMMQONGZXDFJQC-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.11
Rot. Bonds

About ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine

ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine (PubChem CID 143466063) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Nameethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine
PubChem CID143466063
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Nameethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine
SMILESC/N=C1/NC(C)(C)CS1.CC
InChIInChI=1S/C6H12N2S.C2H6/c1-6(2)4-9-5(7-3)8-6;1-2/h4H2,1-3H3,(H,7,8);1-2H3
InChIKeyMMMQONGZXDFJQC-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.11
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 ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine (CID 143466063) is ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine is C/N=C1/NC(C)(C)CS1.CC.
What is the InChIKey of ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine?
The InChIKey is MMMQONGZXDFJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S.C2H6/c1-6(2)4-9-5(7-3)8-6;1-2/h4H2,1-3H3,(H,7,8);1-2H3.
What are the key properties of ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine?
ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine has a molecular weight of 174.31 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,4,4-trimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 143466063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).