3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile

C14H10N4S — CID 24735991

IUPAC3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile
SMILESCc1ccnc2sc(Nc3cccc(C#N)c3)nc12
InChIInChI=1S/C14H10N4S/c1-9-5-6-16-13-12(9)18-14(19-13)17-11-4-2-3-10(7-11)8-15/h2-7H,1H3,(H,17,18)
InChIKeyZSMXULOKPDYVNW-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.62
Rot. Bonds2

About 3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile

3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile (PubChem CID 24735991) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile
PubChem CID24735991
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile
SMILESCc1ccnc2sc(Nc3cccc(C#N)c3)nc12
InChIInChI=1S/C14H10N4S/c1-9-5-6-16-13-12(9)18-14(19-13)17-11-4-2-3-10(7-11)8-15/h2-7H,1H3,(H,17,18)
InChIKeyZSMXULOKPDYVNW-UHFFFAOYSA-N
XLogP3.62
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-cyanoanilino)-1,3-thiazole-5-carboxylate
CID 80571651
3-[(2-amino-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80760475
3-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 71051336
3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80761291
3-[(5-fluoro-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 43306836
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 80927950
3-[5-(6-methylpyrimidin-4-yl)-2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzonitrile
CID 11291658
3-[[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]benzonitrile
CID 94698040
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316241
3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]benzonitrile
CID 10314778
3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]benzonitrile
CID 43450566
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80760907

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile?
The IUPAC name of 3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile (CID 24735991) is 3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile?
The canonical SMILES for 3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile is Cc1ccnc2sc(Nc3cccc(C#N)c3)nc12.
What is the InChIKey of 3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile?
The InChIKey is ZSMXULOKPDYVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-9-5-6-16-13-12(9)18-14(19-13)17-11-4-2-3-10(7-11)8-15/h2-7H,1H3,(H,17,18).
What are the key properties of 3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile?
3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile has a molecular weight of 266.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]benzonitrile is sourced from PubChem (CID 24735991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).