[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol

C11H9N3OS — CID 56912725

IUPAC[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C11H9N3OS/c15-5-7-6-16-11(14-7)9-2-4-13-10-8(9)1-3-12-10/h1-4,6,15H,5H2,(H,12,13)
InChIKeyDEQVBJXGQZCGGU-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.18
Rot. Bonds2

About [2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol

[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 56912725) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is [2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
PubChem CID56912725
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C11H9N3OS/c15-5-7-6-16-11(14-7)9-2-4-13-10-8(9)1-3-12-10/h1-4,6,15H,5H2,(H,12,13)
InChIKeyDEQVBJXGQZCGGU-UHFFFAOYSA-N
XLogP2.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol (CID 56912725) is [2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol is OCc1csc(-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of [2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is DEQVBJXGQZCGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c15-5-7-6-16-11(14-7)9-2-4-13-10-8(9)1-3-12-10/h1-4,6,15H,5H2,(H,12,13).
What are the key properties of [2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol?
[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 231.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 56912725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).