3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

C17H13N5OS2 — CID 47001891

IUPAC3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)n1
InChIInChI=1S/C17H13N5OS2/c1-9-8-24-17(20-9)22-15(23)14-13(18)11-2-3-12(21-16(11)25-14)10-4-6-19-7-5-10/h2-8H,18H2,1H3,(H,20,22,23)
InChIKeyGMDDDBPJXVXQKN-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.96
Rot. Bonds3

About 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 47001891) has the molecular formula C17H13N5OS2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID47001891
Molecular FormulaC17H13N5OS2
Molecular Weight367.46 g/mol
Exact Mass367.06
IUPAC Name3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)n1
InChIInChI=1S/C17H13N5OS2/c1-9-8-24-17(20-9)22-15(23)14-13(18)11-2-3-12(21-16(11)25-14)10-4-6-19-7-5-10/h2-8H,18H2,1H3,(H,20,22,23)
InChIKeyGMDDDBPJXVXQKN-UHFFFAOYSA-N
XLogP3.96
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (CID 47001891) is 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1csc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)n1.
What is the InChIKey of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GMDDDBPJXVXQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS2/c1-9-8-24-17(20-9)22-15(23)14-13(18)11-2-3-12(21-16(11)25-14)10-4-6-19-7-5-10/h2-8H,18H2,1H3,(H,20,22,23).
What are the key properties of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 47001891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).