2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide

C11H9N5OS — CID 56910242

IUPAC2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cc(N)nc3[nH]ccc23)n1
InChIInChI=1S/C11H9N5OS/c12-8-3-6(5-1-2-14-10(5)16-8)11-15-7(4-18-11)9(13)17/h1-4H,(H2,13,17)(H3,12,14,16)
InChIKeyGAPMZXJJFXOHSJ-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.37
Rot. Bonds2

About 2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide

2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 56910242) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID56910242
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cc(N)nc3[nH]ccc23)n1
InChIInChI=1S/C11H9N5OS/c12-8-3-6(5-1-2-14-10(5)16-8)11-15-7(4-18-11)9(13)17/h1-4H,(H2,13,17)(H3,12,14,16)
InChIKeyGAPMZXJJFXOHSJ-UHFFFAOYSA-N
XLogP1.37
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide (CID 56910242) is 2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2cc(N)nc3[nH]ccc23)n1.
What is the InChIKey of 2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GAPMZXJJFXOHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c12-8-3-6(5-1-2-14-10(5)16-8)11-15-7(4-18-11)9(13)17/h1-4H,(H2,13,17)(H3,12,14,16).
What are the key properties of 2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide?
2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 259.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56910242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).