N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide

C16H11N3O2S — CID 16907008

IUPACN-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3nc4ccccc4s3)cc2n1
InChIInChI=1S/C16H11N3O2S/c1-9-6-7-12-11(17-9)8-13(21-12)15(20)19-16-18-10-4-2-3-5-14(10)22-16/h2-8H,1H3,(H,18,19,20)
InChIKeyQPQZAGAIYDYOSQ-UHFFFAOYSA-N
MW309.35 g/mol
LogP4.00
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide

N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide (PubChem CID 16907008) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide
PubChem CID16907008
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3nc4ccccc4s3)cc2n1
InChIInChI=1S/C16H11N3O2S/c1-9-6-7-12-11(17-9)8-13(21-12)15(20)19-16-18-10-4-2-3-5-14(10)22-16/h2-8H,1H3,(H,18,19,20)
InChIKeyQPQZAGAIYDYOSQ-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide (CID 16907008) is N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide is Cc1ccc2oc(C(=O)Nc3nc4ccccc4s3)cc2n1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The InChIKey is QPQZAGAIYDYOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-9-6-7-12-11(17-9)8-13(21-12)15(20)19-16-18-10-4-2-3-5-14(10)22-16/h2-8H,1H3,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-methylfuro[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 16907008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).