2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine

C9H19N3S — CID 135934541

IUPAC2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine
SMILESCN(C)CC/N=C1/NC(C)(C)CS1
InChIInChI=1S/C9H19N3S/c1-9(2)7-13-8(11-9)10-5-6-12(3)4/h5-7H2,1-4H3,(H,10,11)
InChIKeyLFKFUFSBUVSIIJ-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.02
Rot. Bonds3

About 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine

2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine (PubChem CID 135934541) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine
PubChem CID135934541
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine
SMILESCN(C)CC/N=C1/NC(C)(C)CS1
InChIInChI=1S/C9H19N3S/c1-9(2)7-13-8(11-9)10-5-6-12(3)4/h5-7H2,1-4H3,(H,10,11)
InChIKeyLFKFUFSBUVSIIJ-UHFFFAOYSA-N
XLogP1.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine (CID 135934541) is 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine is CN(C)CC/N=C1/NC(C)(C)CS1.
What is the InChIKey of 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine?
The InChIKey is LFKFUFSBUVSIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-9(2)7-13-8(11-9)10-5-6-12(3)4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine?
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine has a molecular weight of 201.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylethanamine is sourced from PubChem (CID 135934541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).