2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine

C19H19ClN2S — CID 547602

IUPAC2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine
SMILESCN(C)CC/N=c1\cc(-c2ccccc2)sc2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2S/c1-22(2)11-10-21-17-13-19(14-6-4-3-5-7-14)23-18-9-8-15(20)12-16(17)18/h3-9,12-13H,10-11H2,1-2H3/b21-17+
InChIKeyQJIBUOJUNDOZCZ-HEHNFIMWSA-N
MW342.90 g/mol
LogP4.68
Rot. Bonds4

About 2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine

2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine (PubChem CID 547602) has the molecular formula C19H19ClN2S and a molecular weight of 342.90 g/mol. Its IUPAC name is 2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine
PubChem CID547602
Molecular FormulaC19H19ClN2S
Molecular Weight342.90 g/mol
Exact Mass342.10
IUPAC Name2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine
SMILESCN(C)CC/N=c1\cc(-c2ccccc2)sc2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2S/c1-22(2)11-10-21-17-13-19(14-6-4-3-5-7-14)23-18-9-8-15(20)12-16(17)18/h3-9,12-13H,10-11H2,1-2H3/b21-17+
InChIKeyQJIBUOJUNDOZCZ-HEHNFIMWSA-N
XLogP4.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine?
The IUPAC name of 2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine (CID 547602) is 2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine is CN(C)CC/N=c1\cc(-c2ccccc2)sc2ccc(Cl)cc12.
What is the InChIKey of 2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine?
The InChIKey is QJIBUOJUNDOZCZ-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H19ClN2S/c1-22(2)11-10-21-17-13-19(14-6-4-3-5-7-14)23-18-9-8-15(20)12-16(17)18/h3-9,12-13H,10-11H2,1-2H3/b21-17+.
What are the key properties of 2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine?
2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine has a molecular weight of 342.90 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-phenylthiochromen-4-ylidene)amino]-N,N-dimethylethanamine is sourced from PubChem (CID 547602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).