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

C13H12N4S — CID 107802776

IUPAC2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1ccc2ncsc2c1
InChIInChI=1S/C13H12N4S/c1-8-4-9(14)6-15-13(8)17-10-2-3-11-12(5-10)18-7-16-11/h2-7H,14H2,1H3,(H,15,17)
InChIKeyOJBBDDTZLAQJMO-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.33
Rot. Bonds2

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

2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine (PubChem CID 107802776) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
PubChem CID107802776
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1ccc2ncsc2c1
InChIInChI=1S/C13H12N4S/c1-8-4-9(14)6-15-13(8)17-10-2-3-11-12(5-10)18-7-16-11/h2-7H,14H2,1H3,(H,15,17)
InChIKeyOJBBDDTZLAQJMO-UHFFFAOYSA-N
XLogP3.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(1,3-benzothiazol-6-yl)pyridine-3,5-diamine
CID 107801971
4-N-(1,3-benzothiazol-6-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107802039
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 107801119
1-N-(1,3-benzothiazol-6-yl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 107802771
1-N-(1,3-benzothiazol-6-yl)benzene-1,2,4-triamine
CID 12685915
2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine
CID 62476193
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
CID 55187303
4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
CID 107802796
2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine
CID 107571400
4-N-(1,3-benzothiazol-6-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 107801963
N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
CID 107800236

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine (CID 107802776) is 2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1Nc1ccc2ncsc2c1.
What is the InChIKey of 2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine?
The InChIKey is OJBBDDTZLAQJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-8-4-9(14)6-15-13(8)17-10-2-3-11-12(5-10)18-7-16-11/h2-7H,14H2,1H3,(H,15,17).
What are the key properties of 2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine?
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine has a molecular weight of 256.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 107802776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).