4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile

C17H13N5OS — CID 87944232

IUPAC4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile
SMILESCOc1ccc(C#N)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C17H13N5OS/c1-22-9-19-15-12(22)4-6-14-16(15)21-17(24-14)20-11-7-10(8-18)3-5-13(11)23-2/h3-7,9H,1-2H3,(H,20,21)
InChIKeyPIJINTYFXNGDOX-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.81
Rot. Bonds3

About 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile

4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile (PubChem CID 87944232) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile
PubChem CID87944232
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile
SMILESCOc1ccc(C#N)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C17H13N5OS/c1-22-9-19-15-12(22)4-6-14-16(15)21-17(24-14)20-11-7-10(8-18)3-5-13(11)23-2/h3-7,9H,1-2H3,(H,20,21)
InChIKeyPIJINTYFXNGDOX-UHFFFAOYSA-N
XLogP3.81
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944343
4-methoxy-3-[(6-methylpyrrolo[3,2-e][1,3]benzothiazol-2-yl)amino]benzonitrile;hydrochloride
CID 87944484
N-(2-methoxy-4-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944407
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944171
4-methoxy-3-[[5-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzothiazol-2-yl]amino]benzonitrile;hydrochloride
CID 89239854
6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944456
N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
CID 123570612
N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 161242548
3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide
CID 86665499
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
8-amino-6-(5-cyano-2-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313948
N-(2-methoxy-5-methylsulfonylphenyl)-6-(2-methylpropyl)pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 87945797

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile?
The IUPAC name of 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile (CID 87944232) is 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile.
What is the SMILES notation for 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile?
The canonical SMILES for 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile is COc1ccc(C#N)cc1Nc1nc2c(ccc3c2ncn3C)s1.
What is the InChIKey of 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile?
The InChIKey is PIJINTYFXNGDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-22-9-19-15-12(22)4-6-14-16(15)21-17(24-14)20-11-7-10(8-18)3-5-13(11)23-2/h3-7,9H,1-2H3,(H,20,21).
What are the key properties of 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile?
4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile has a molecular weight of 335.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile is sourced from PubChem (CID 87944232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).