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

C10H7BrN4S — CID 57421977

IUPAC4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2c[nH]c3ncc(Br)cc23)cs1
InChIInChI=1S/C10H7BrN4S/c11-5-1-6-7(3-14-9(6)13-2-5)8-4-16-10(12)15-8/h1-4H,(H2,12,15)(H,13,14)
InChIKeyMYCKAWVPBUXFGL-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.03
Rot. Bonds1

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

4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 57421977) has the molecular formula C10H7BrN4S and a molecular weight of 295.17 g/mol. Its IUPAC name is 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
PubChem CID57421977
Molecular FormulaC10H7BrN4S
Molecular Weight295.17 g/mol
Exact Mass293.96
IUPAC Name4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2c[nH]c3ncc(Br)cc23)cs1
InChIInChI=1S/C10H7BrN4S/c11-5-1-6-7(3-14-9(6)13-2-5)8-4-16-10(12)15-8/h1-4H,(H2,12,15)(H,13,14)
InChIKeyMYCKAWVPBUXFGL-UHFFFAOYSA-N
XLogP3.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine (CID 57421977) is 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine is Nc1nc(-c2c[nH]c3ncc(Br)cc23)cs1.
What is the InChIKey of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is MYCKAWVPBUXFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S/c11-5-1-6-7(3-14-9(6)13-2-5)8-4-16-10(12)15-8/h1-4H,(H2,12,15)(H,13,14).
What are the key properties of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine?
4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 295.17 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 57421977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).