3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide

C17H13N5O2S — CID 1086353

IUPAC3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)no1
InChIInChI=1S/C17H13N5O2S/c1-9-7-13(22-24-9)21-16(23)15-14(18)11-4-5-12(20-17(11)25-15)10-3-2-6-19-8-10/h2-8H,18H2,1H3,(H,21,22,23)
InChIKeyMZFPOUKPZHACEI-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.49
Rot. Bonds3

About 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1086353) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1086353
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)no1
InChIInChI=1S/C17H13N5O2S/c1-9-7-13(22-24-9)21-16(23)15-14(18)11-4-5-12(20-17(11)25-15)10-3-2-6-19-8-10/h2-8H,18H2,1H3,(H,21,22,23)
InChIKeyMZFPOUKPZHACEI-UHFFFAOYSA-N
XLogP3.49
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1086353) is 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(NC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)no1.
What is the InChIKey of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MZFPOUKPZHACEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c1-9-7-13(22-24-9)21-16(23)15-14(18)11-4-5-12(20-17(11)25-15)10-3-2-6-19-8-10/h2-8H,18H2,1H3,(H,21,22,23).
What are the key properties of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1086353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).