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

C13H12N4S — CID 107802793

IUPAC2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(Nc2ccc3ncsc3c2)ccc1N
InChIInChI=1S/C13H12N4S/c1-8-10(14)3-5-13(16-8)17-9-2-4-11-12(6-9)18-7-15-11/h2-7H,14H2,1H3,(H,16,17)
InChIKeyYJDJOIDLRIDWCZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.33
Rot. Bonds2

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

2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine (PubChem CID 107802793) 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)-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
PubChem CID107802793
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
SMILESCc1nc(Nc2ccc3ncsc3c2)ccc1N
InChIInChI=1S/C13H12N4S/c1-8-10(14)3-5-13(16-8)17-9-2-4-11-12(6-9)18-7-15-11/h2-7H,14H2,1H3,(H,16,17)
InChIKeyYJDJOIDLRIDWCZ-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

2-amino-5-(1,3-benzothiazol-6-ylamino)benzamide
CID 107800531
4-N-(1,3-benzothiazol-6-yl)-2-tert-butylpyrimidine-4,6-diamine
CID 107801962
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 107801119
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
1-N-(1,3-benzothiazol-6-yl)benzene-1,2,4-triamine
CID 12685915
2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine
CID 107802808
4-N-(1,3-benzothiazol-6-yl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801951
4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
CID 107802796
N-(6-chloropyrazin-2-yl)-1,3-benzothiazol-6-amine
CID 107268509
4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol
CID 82061104

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine (CID 107802793) is 2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine is Cc1nc(Nc2ccc3ncsc3c2)ccc1N.
What is the InChIKey of 2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine?
The InChIKey is YJDJOIDLRIDWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-8-10(14)3-5-13(16-8)17-9-2-4-11-12(6-9)18-7-15-11/h2-7H,14H2,1H3,(H,16,17).
What are the key properties of 2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine?
2-N-(1,3-benzothiazol-6-yl)-6-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)-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 107802793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).