5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine

C12H10N4S — CID 107801971

IUPAC5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
SMILESNc1cncc(Nc2ccc3ncsc3c2)c1
InChIInChI=1S/C12H10N4S/c13-8-3-10(6-14-5-8)16-9-1-2-11-12(4-9)17-7-15-11/h1-7,16H,13H2
InChIKeyXXJYTHDOCNDTOA-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.02
Rot. Bonds2

About 5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine

5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine (PubChem CID 107801971) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
PubChem CID107801971
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
SMILESNc1cncc(Nc2ccc3ncsc3c2)c1
InChIInChI=1S/C12H10N4S/c13-8-3-10(6-14-5-8)16-9-1-2-11-12(4-9)17-7-15-11/h1-7,16H,13H2
InChIKeyXXJYTHDOCNDTOA-UHFFFAOYSA-N
XLogP3.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
CID 107802796
1-N-(1,3-benzothiazol-6-yl)benzene-1,2,4-triamine
CID 12685915
2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide
CID 107800531
N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
CID 107268509
4-(1,3-benzothiazol-6-ylamino)benzenecarbothioamide
CID 107806262
2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine
CID 107802808
4-N-(1,3-benzothiazol-6-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 107801963
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
2-N-(1,3-benzothiazol-6-yl)-4-fluorobenzene-1,2-diamine
CID 107802777
N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
CID 107800236
N-(4-nitrophenyl)-1,3-benzothiazol-6-amine
CID 112840853

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine?
The IUPAC name of 5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine (CID 107801971) is 5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine is Nc1cncc(Nc2ccc3ncsc3c2)c1.
What is the InChIKey of 5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine?
The InChIKey is XXJYTHDOCNDTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-8-3-10(6-14-5-8)16-9-1-2-11-12(4-9)17-7-15-11/h1-7,16H,13H2.
What are the key properties of 5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine?
5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine has a molecular weight of 242.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine is sourced from PubChem (CID 107801971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).