N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine

C7H14N2S — CID 89097031

IUPACN-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine
SMILESC/N=C1\SCCN1C(C)C
InChIInChI=1S/C7H14N2S/c1-6(2)9-4-5-10-7(9)8-3/h6H,4-5H2,1-3H3/b8-7-
InChIKeyOABNLGAMCQYTIL-FPLPWBNLSA-N
MW158.27 g/mol
LogP1.43
Rot. Bonds1

About N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine

N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 89097031) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID89097031
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine
SMILESC/N=C1\SCCN1C(C)C
InChIInChI=1S/C7H14N2S/c1-6(2)9-4-5-10-7(9)8-3/h6H,4-5H2,1-3H3/b8-7-
InChIKeyOABNLGAMCQYTIL-FPLPWBNLSA-N
XLogP1.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
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 N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine (CID 89097031) is N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine is C/N=C1\SCCN1C(C)C.
What is the InChIKey of N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is OABNLGAMCQYTIL-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H14N2S/c1-6(2)9-4-5-10-7(9)8-3/h6H,4-5H2,1-3H3/b8-7-.
What are the key properties of N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine?
N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 158.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 89097031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).