6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine

C11H5Cl3N4S — CID 166929373

IUPAC6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(Nc3cc(Cl)nnc3Cl)sc2c1
InChIInChI=1S/C11H5Cl3N4S/c12-5-1-2-6-8(3-5)19-11(15-6)16-7-4-9(13)17-18-10(7)14/h1-4H,(H,15,16,17)
InChIKeyBDDPPXFZOXVZKT-UHFFFAOYSA-N
MW331.62 g/mol
LogP4.79
Rot. Bonds2

About 6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine

6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 166929373) has the molecular formula C11H5Cl3N4S and a molecular weight of 331.62 g/mol. Its IUPAC name is 6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine
PubChem CID166929373
Molecular FormulaC11H5Cl3N4S
Molecular Weight331.62 g/mol
Exact Mass329.93
IUPAC Name6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(Nc3cc(Cl)nnc3Cl)sc2c1
InChIInChI=1S/C11H5Cl3N4S/c12-5-1-2-6-8(3-5)19-11(15-6)16-7-4-9(13)17-18-10(7)14/h1-4H,(H,15,16,17)
InChIKeyBDDPPXFZOXVZKT-UHFFFAOYSA-N
XLogP4.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
4-amino-3-[(6-chloro-1,3-benzothiazol-2-yl)amino]benzamide
CID 82775308
2-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 55185596
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4-methylbenzenecarbothioamide
CID 63515168
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine (CID 166929373) is 6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine is Clc1ccc2nc(Nc3cc(Cl)nnc3Cl)sc2c1.
What is the InChIKey of 6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is BDDPPXFZOXVZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N4S/c12-5-1-2-6-8(3-5)19-11(15-6)16-7-4-9(13)17-18-10(7)14/h1-4H,(H,15,16,17).
What are the key properties of 6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine?
6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 331.62 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 166929373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).