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

C10H7ClN6S — CID 107801949

IUPAC2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C10H7ClN6S/c11-8-15-9(12)17-10(16-8)14-5-1-2-6-7(3-5)18-4-13-6/h1-4H,(H3,12,14,15,16,17)
InChIKeyTYHMGDDKRSBBNL-UHFFFAOYSA-N
MW278.73 g/mol
LogP2.46
Rot. Bonds2

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

2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine (PubChem CID 107801949) has the molecular formula C10H7ClN6S and a molecular weight of 278.73 g/mol. Its IUPAC name is 2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine
PubChem CID107801949
Molecular FormulaC10H7ClN6S
Molecular Weight278.73 g/mol
Exact Mass278.01
IUPAC Name2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C10H7ClN6S/c11-8-15-9(12)17-10(16-8)14-5-1-2-6-7(3-5)18-4-13-6/h1-4H,(H3,12,14,15,16,17)
InChIKeyTYHMGDDKRSBBNL-UHFFFAOYSA-N
XLogP2.46
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107802028
2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine
CID 107802808
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80760660
N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
CID 107268509
4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
CID 107802796
4-N-(1,3-benzothiazol-6-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 107801963
1-N-(1,3-benzothiazol-6-yl)-5-chloro-6-fluorobenzene-1,2,4-triamine
CID 107802827
6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762147
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971
1-N-(1,3-benzothiazol-6-yl)benzene-1,2,4-triamine
CID 12685915
1-N-(1,3-benzothiazol-6-yl)-3-fluorobenzene-1,2-diamine
CID 107802773
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine (CID 107801949) is 2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(Nc2ccc3ncsc3c2)n1.
What is the InChIKey of 2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
The InChIKey is TYHMGDDKRSBBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6S/c11-8-15-9(12)17-10(16-8)14-5-1-2-6-7(3-5)18-4-13-6/h1-4H,(H3,12,14,15,16,17).
What are the key properties of 2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine has a molecular weight of 278.73 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzothiazol-6-yl)-6-chloro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107801949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).