2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine

C13H9Cl2N3S — CID 107802808

IUPAC2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine
SMILESNc1cc(Cl)c(Cl)cc1Nc1ccc2ncsc2c1
InChIInChI=1S/C13H9Cl2N3S/c14-8-4-10(16)12(5-9(8)15)18-7-1-2-11-13(3-7)19-6-17-11/h1-6,18H,16H2
InChIKeyFYAARBZPMBLIPP-UHFFFAOYSA-N
MW310.21 g/mol
LogP4.93
Rot. Bonds2

About 2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine

2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine (PubChem CID 107802808) has the molecular formula C13H9Cl2N3S and a molecular weight of 310.21 g/mol. Its IUPAC name is 2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine
PubChem CID107802808
Molecular FormulaC13H9Cl2N3S
Molecular Weight310.21 g/mol
Exact Mass308.99
IUPAC Name2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine
SMILESNc1cc(Cl)c(Cl)cc1Nc1ccc2ncsc2c1
InChIInChI=1S/C13H9Cl2N3S/c14-8-4-10(16)12(5-9(8)15)18-7-1-2-11-13(3-7)19-6-17-11/h1-6,18H,16H2
InChIKeyFYAARBZPMBLIPP-UHFFFAOYSA-N
XLogP4.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(1,3-benzothiazol-6-yl)benzene-1,2,4-triamine
CID 12685915
2-N-(1,3-benzothiazol-6-yl)-4-fluorobenzene-1,2-diamine
CID 107802777
1-N-(1,3-benzothiazol-6-yl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 107802771
2-N-(1,3-benzothiazol-6-yl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 107802835
4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
CID 107802796
1-N-(1,3-benzothiazol-6-yl)-5-chloro-6-fluorobenzene-1,2,4-triamine
CID 107802827
1-N-(1,3-benzothiazol-6-yl)-3-fluorobenzene-1,2-diamine
CID 107802773
2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 107801949
2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide
CID 107800531
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine?
The IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine (CID 107802808) is 2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine is Nc1cc(Cl)c(Cl)cc1Nc1ccc2ncsc2c1.
What is the InChIKey of 2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine?
The InChIKey is FYAARBZPMBLIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3S/c14-8-4-10(16)12(5-9(8)15)18-7-1-2-11-13(3-7)19-6-17-11/h1-6,18H,16H2.
What are the key properties of 2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine?
2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine has a molecular weight of 310.21 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine is sourced from PubChem (CID 107802808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).