2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

C16H20N4O2S — CID 168626069

IUPAC2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2ccccc2COCC2CCCO2)n1
InChIInChI=1S/C16H20N4O2S/c17-15-11-23-16(19-15)20-18-8-12-4-1-2-5-13(12)9-21-10-14-6-3-7-22-14/h1-2,4-5,8,11,14H,3,6-7,9-10,17H2,(H,19,20)
InChIKeyJLBYUSKTEGHMSX-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.87
Rot. Bonds7

About 2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168626069) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168626069
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2ccccc2COCC2CCCO2)n1
InChIInChI=1S/C16H20N4O2S/c17-15-11-23-16(19-15)20-18-8-12-4-1-2-5-13(12)9-21-10-14-6-3-7-22-14/h1-2,4-5,8,11,14H,3,6-7,9-10,17H2,(H,19,20)
InChIKeyJLBYUSKTEGHMSX-UHFFFAOYSA-N
XLogP2.87
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine 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

[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]thiourea
CID 168534500
2-N-[[2-(piperidin-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625974
4-methyl-N-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617353
2-N-[[2-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626186
2-[[(2S)-oxolan-2-yl]methoxymethyl]benzenethiol
CID 97294081
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
2-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24702281
2-N-[[2-(4-fluorophenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626295
[4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443830
N-[[2-(cyclopropylmethoxymethyl)phenyl]methylideneamino]aniline
CID 169382151
N-[[2-(cyclohexylmethoxymethyl)-4-fluorophenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576941
3-(oxolan-2-ylmethoxymethyl)pyridine-2-carbonitrile
CID 62920439

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (CID 168626069) is 2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2ccccc2COCC2CCCO2)n1.
What is the InChIKey of 2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is JLBYUSKTEGHMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c17-15-11-23-16(19-15)20-18-8-12-4-1-2-5-13(12)9-21-10-14-6-3-7-22-14/h1-2,4-5,8,11,14H,3,6-7,9-10,17H2,(H,19,20).
What are the key properties of 2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 332.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168626069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).