1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine

C13H9N5S — CID 107805987

IUPAC1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnccc2n1-c1ccc2ncsc2c1
InChIInChI=1S/C13H9N5S/c14-13-17-10-6-15-4-3-11(10)18(13)8-1-2-9-12(5-8)19-7-16-9/h1-7H,(H2,14,17)
InChIKeyJUKLUBJWEIRKQY-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.61
Rot. Bonds1

About 1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine

1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine (PubChem CID 107805987) has the molecular formula C13H9N5S and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine
PubChem CID107805987
Molecular FormulaC13H9N5S
Molecular Weight267.32 g/mol
Exact Mass267.06
IUPAC Name1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnccc2n1-c1ccc2ncsc2c1
InChIInChI=1S/C13H9N5S/c14-13-17-10-6-15-4-3-11(10)18(13)8-1-2-9-12(5-8)19-7-16-9/h1-7H,(H2,14,17)
InChIKeyJUKLUBJWEIRKQY-UHFFFAOYSA-N
XLogP2.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-quinolin-6-ylimidazo[4,5-c]pyridin-2-amine
CID 79271506
3-(1,3-benzothiazol-6-yl)imidazo[4,5-b]pyridin-2-amine
CID 107805988
3-(1,3-benzothiazol-6-yl)-6-bromoimidazo[4,5-b]pyridin-2-amine
CID 107805986
1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine
CID 115564675
1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridin-2-amine
CID 79296335
[5-amino-1-(1,3-benzothiazol-6-yl)benzimidazol-2-yl]methanol
CID 107801521
1-(4-amino-3-pyridinyl)-3-(1,3-benzothiazol-6-yl)imidazolidin-2-one
CID 59636228
2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile
CID 79296252
1-[3-(methoxymethyl)phenyl]imidazo[4,5-c]pyridin-2-amine
CID 79295531
1-(2,6-dichlorophenyl)imidazo[4,5-c]pyridin-2-amine
CID 79296259
1-(4-methoxy-2-methylphenyl)imidazo[4,5-c]pyridin-2-amine
CID 79295266
4-N-(1,3-benzothiazol-6-yl)pyridine-3,4-diamine
CID 107802796

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine (CID 107805987) is 1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine is Nc1nc2cnccc2n1-c1ccc2ncsc2c1.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine?
The InChIKey is JUKLUBJWEIRKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5S/c14-13-17-10-6-15-4-3-11(10)18(13)8-1-2-9-12(5-8)19-7-16-9/h1-7H,(H2,14,17).
What are the key properties of 1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine?
1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine has a molecular weight of 267.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 107805987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).