5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine

C19H18Cl2N4S2 — CID 46879646

IUPAC5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine
SMILESClc1cc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2cc1Cl
InChIInChI=1S/C19H18Cl2N4S2/c20-14-10-16-17(11-15(14)21)27-19(25-16)23-8-6-12-2-4-13(5-3-12)24-18-22-7-1-9-26-18/h2-5,10-11H,1,6-9H2,(H,22,24)(H,23,25)
InChIKeyHJQIGEHRHUFSHR-UHFFFAOYSA-N
MW437.42 g/mol
LogP6.16
Rot. Bonds5

About 5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine

5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine (PubChem CID 46879646) has the molecular formula C19H18Cl2N4S2 and a molecular weight of 437.42 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine
PubChem CID46879646
Molecular FormulaC19H18Cl2N4S2
Molecular Weight437.42 g/mol
Exact Mass436.03
IUPAC Name5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine
SMILESClc1cc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2cc1Cl
InChIInChI=1S/C19H18Cl2N4S2/c20-14-10-16-17(11-15(14)21)27-19(25-16)23-8-6-12-2-4-13(5-3-12)24-18-22-7-1-9-26-18/h2-5,10-11H,1,6-9H2,(H,22,24)(H,23,25)
InChIKeyHJQIGEHRHUFSHR-UHFFFAOYSA-N
XLogP6.16
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine 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 5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine (CID 46879646) is 5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine is Clc1cc2nc(NCCc3ccc(NC4=NCCCS4)cc3)sc2cc1Cl.
What is the InChIKey of 5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is HJQIGEHRHUFSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4S2/c20-14-10-16-17(11-15(14)21)27-19(25-16)23-8-6-12-2-4-13(5-3-12)24-18-22-7-1-9-26-18/h2-5,10-11H,1,6-9H2,(H,22,24)(H,23,25).
What are the key properties of 5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine?
5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 437.42 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 46879646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).