5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C10H8N4S — CID 155258784

IUPAC5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESNc1c(-c2ccsn2)cnc2[nH]ccc12
InChIInChI=1S/C10H8N4S/c11-9-6-1-3-12-10(6)13-5-7(9)8-2-4-15-14-8/h1-5H,(H3,11,12,13)
InChIKeyCPVBSDQAXQAWFN-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.27
Rot. Bonds1

About 5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 155258784) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID155258784
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESNc1c(-c2ccsn2)cnc2[nH]ccc12
InChIInChI=1S/C10H8N4S/c11-9-6-1-3-12-10(6)13-5-7(9)8-2-4-15-14-8/h1-5H,(H3,11,12,13)
InChIKeyCPVBSDQAXQAWFN-UHFFFAOYSA-N
XLogP2.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 155258784) is 5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is Nc1c(-c2ccsn2)cnc2[nH]ccc12.
What is the InChIKey of 5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is CPVBSDQAXQAWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-9-6-1-3-12-10(6)13-5-7(9)8-2-4-15-14-8/h1-5H,(H3,11,12,13).
What are the key properties of 5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 216.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-thiazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 155258784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).