N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine

C16H25N3S — CID 135934573

IUPACN,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine
SMILESCCN(CC)C(C/N=C1\NC(C)CS1)c1ccccc1
InChIInChI=1S/C16H25N3S/c1-4-19(5-2)15(14-9-7-6-8-10-14)11-17-16-18-13(3)12-20-16/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,17,18)
InChIKeyYRMHTEHZYCFZEX-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.15
Rot. Bonds6

About N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine

N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine (PubChem CID 135934573) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine
PubChem CID135934573
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine
SMILESCCN(CC)C(C/N=C1\NC(C)CS1)c1ccccc1
InChIInChI=1S/C16H25N3S/c1-4-19(5-2)15(14-9-7-6-8-10-14)11-17-16-18-13(3)12-20-16/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,17,18)
InChIKeyYRMHTEHZYCFZEX-UHFFFAOYSA-N
XLogP3.15
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine
CID 136948902
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43081728
N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43192161
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 135934658
N-(2-cyclopropylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 137002709
2-[2-(diethylamino)-2-phenylethyl]-1-ethylguanidine
CID 55064143
N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
CID 135934689
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide
CID 129419786

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine?
The IUPAC name of N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine (CID 135934573) is N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine.
What is the SMILES notation for N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine?
The canonical SMILES for N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine is CCN(CC)C(C/N=C1\NC(C)CS1)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine?
The InChIKey is YRMHTEHZYCFZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-4-19(5-2)15(14-9-7-6-8-10-14)11-17-16-18-13(3)12-20-16/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,17,18).
What are the key properties of N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine?
N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine has a molecular weight of 291.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]-1-phenylethanamine is sourced from PubChem (CID 135934573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).