4,6-dichloro-1,3-benzothiazol-7-amine

C7H4Cl2N2S — CID 45077496

IUPAC4,6-dichloro-1,3-benzothiazol-7-amine
SMILESNc1c(Cl)cc(Cl)c2ncsc12
InChIInChI=1S/C7H4Cl2N2S/c8-3-1-4(9)6-7(5(3)10)12-2-11-6/h1-2H,10H2
InChIKeyODYWZZIPVHTNDH-UHFFFAOYSA-N
MW219.10 g/mol
LogP3.19
Rot. Bonds

About 4,6-dichloro-1,3-benzothiazol-7-amine

4,6-dichloro-1,3-benzothiazol-7-amine (PubChem CID 45077496) has the molecular formula C7H4Cl2N2S and a molecular weight of 219.10 g/mol. Its IUPAC name is 4,6-dichloro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name4,6-dichloro-1,3-benzothiazol-7-amine
PubChem CID45077496
Molecular FormulaC7H4Cl2N2S
Molecular Weight219.10 g/mol
Exact Mass217.95
IUPAC Name4,6-dichloro-1,3-benzothiazol-7-amine
SMILESNc1c(Cl)cc(Cl)c2ncsc12
InChIInChI=1S/C7H4Cl2N2S/c8-3-1-4(9)6-7(5(3)10)12-2-11-6/h1-2H,10H2
InChIKeyODYWZZIPVHTNDH-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Chlorobenzothiazole
CID 10821026
4,6-Dichloro-2-methyl-1,3-benzothiazole
CID 285292
Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride
CID 46374
2,4,6-Trichloro-benzothiazole
CID 1810397
6-Chlorobenzothiazole
CID 351738
N-(4-chloro-1,3-benzothiazol-7-yl)cyclopropanecarboxamide
CID 8702123
Benzothiazolium, 4-chloro-3-methyl-, iodide
CID 159176
2,4-Dichloro-6-fluoro-7-isocyanato-benzothiazole
CID 11108157
7-Amino-2,4-dichloro-6-fluorobenzothiazole
CID 19933457
2,4-Dichloro-6-fluoro-7-isothiocyanatobenzothiazole
CID 19933464
2,4-Dichloro-6-fluoro-7-hydrazinobenzothiazole
CID 19933467
2-Bromo-4-chloro-6-fluoro-1,3-benzothiazol-7-amine
CID 53684480

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1,3-benzothiazol-7-amine?
The IUPAC name of 4,6-dichloro-1,3-benzothiazol-7-amine (CID 45077496) is 4,6-dichloro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 4,6-dichloro-1,3-benzothiazol-7-amine?
The canonical SMILES for 4,6-dichloro-1,3-benzothiazol-7-amine is Nc1c(Cl)cc(Cl)c2ncsc12.
What is the InChIKey of 4,6-dichloro-1,3-benzothiazol-7-amine?
The InChIKey is ODYWZZIPVHTNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2S/c8-3-1-4(9)6-7(5(3)10)12-2-11-6/h1-2H,10H2.
What are the key properties of 4,6-dichloro-1,3-benzothiazol-7-amine?
4,6-dichloro-1,3-benzothiazol-7-amine has a molecular weight of 219.10 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 45077496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).