6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile

C15H12N4OS — CID 64587663

IUPAC6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile
SMILESCCOc1ccc2nc(Nc3cccc(C#N)n3)sc2c1
InChIInChI=1S/C15H12N4OS/c1-2-20-11-6-7-12-13(8-11)21-15(18-12)19-14-5-3-4-10(9-16)17-14/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyNIULVAHICXVVLC-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.71
Rot. Bonds4

About 6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile

6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 64587663) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile
PubChem CID64587663
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile
SMILESCCOc1ccc2nc(Nc3cccc(C#N)n3)sc2c1
InChIInChI=1S/C15H12N4OS/c1-2-20-11-6-7-12-13(8-11)21-15(18-12)19-14-5-3-4-10(9-16)17-14/h3-8H,2H2,1H3,(H,17,18,19)
InChIKeyNIULVAHICXVVLC-UHFFFAOYSA-N
XLogP3.71
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile
CID 62684349
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1H-benzimidazole-4-carbonitrile
CID 172634499
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine
CID 7109945
N-(2-bromo-6-fluorophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 107601409
N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 63874590
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 79518142
2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 116796248
N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908770

Frequently Asked Questions

What is the IUPAC name of 6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile (CID 64587663) is 6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile is CCOc1ccc2nc(Nc3cccc(C#N)n3)sc2c1.
What is the InChIKey of 6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is NIULVAHICXVVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-2-20-11-6-7-12-13(8-11)21-15(18-12)19-14-5-3-4-10(9-16)17-14/h3-8H,2H2,1H3,(H,17,18,19).
What are the key properties of 6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile?
6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 296.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 64587663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).