N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine

C13H9N5S — CID 848495

IUPACN-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(Nc3nc4ncccc4[nH]3)nc2c1
InChIInChI=1S/C13H9N5S/c1-2-6-10-8(4-1)16-13(19-10)18-12-15-9-5-3-7-14-11(9)17-12/h1-7H,(H2,14,15,16,17,18)
InChIKeyWBVFGSQITOPBST-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.31
Rot. Bonds2

About N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine

N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 848495) has the molecular formula C13H9N5S and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine
PubChem CID848495
Molecular FormulaC13H9N5S
Molecular Weight267.32 g/mol
Exact Mass267.06
IUPAC NameN-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(Nc3nc4ncccc4[nH]3)nc2c1
InChIInChI=1S/C13H9N5S/c1-2-6-10-8(4-1)16-13(19-10)18-12-15-9-5-3-7-14-11(9)17-12/h1-7H,(H2,14,15,16,17,18)
InChIKeyWBVFGSQITOPBST-UHFFFAOYSA-N
XLogP3.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine (CID 848495) is N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine is c1ccc2sc(Nc3nc4ncccc4[nH]3)nc2c1.
What is the InChIKey of N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is WBVFGSQITOPBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5S/c1-2-6-10-8(4-1)16-13(19-10)18-12-15-9-5-3-7-14-11(9)17-12/h1-7H,(H2,14,15,16,17,18).
What are the key properties of N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine?
N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 267.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 848495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).