2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine

C19H15N5S — CID 168626742

IUPAC2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2ccc3ccc(-c4ccccc4)nc3c2)n1
InChIInChI=1S/C19H15N5S/c20-18-12-25-19(23-18)24-21-11-13-6-7-15-8-9-16(22-17(15)10-13)14-4-2-1-3-5-14/h1-12H,20H2,(H,23,24)
InChIKeyOGEVSADRBPZMAI-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.39
Rot. Bonds4

About 2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168626742) has the molecular formula C19H15N5S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168626742
Molecular FormulaC19H15N5S
Molecular Weight345.43 g/mol
Exact Mass345.10
IUPAC Name2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2ccc3ccc(-c4ccccc4)nc3c2)n1
InChIInChI=1S/C19H15N5S/c20-18-12-25-19(23-18)24-21-11-13-6-7-15-8-9-16(22-17(15)10-13)14-4-2-1-3-5-14/h1-12H,20H2,(H,23,24)
InChIKeyOGEVSADRBPZMAI-UHFFFAOYSA-N
XLogP4.39
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-phenylquinolin-7-yl)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

3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168626387
2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626932
2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627342
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614
2-N-[(4-iodo-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628362
N-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578727
[4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol
CID 168626606
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168626742) is 2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2ccc3ccc(-c4ccccc4)nc3c2)n1.
What is the InChIKey of 2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is OGEVSADRBPZMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5S/c20-18-12-25-19(23-18)24-21-11-13-6-7-15-8-9-16(22-17(15)10-13)14-4-2-1-3-5-14/h1-12H,20H2,(H,23,24).
What are the key properties of 2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 345.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168626742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).