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

C13H11BrN4S — CID 166327851

IUPAC4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine
SMILESBrc1cnc2[nH]cc(-c3csc(NC4CC4)n3)c2c1
InChIInChI=1S/C13H11BrN4S/c14-7-3-9-10(5-16-12(9)15-4-7)11-6-19-13(18-11)17-8-1-2-8/h3-6,8H,1-2H2,(H,15,16)(H,17,18)
InChIKeyNFFBOHYATOWDPM-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.02
Rot. Bonds3

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

4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 166327851) has the molecular formula C13H11BrN4S and a molecular weight of 335.23 g/mol. Its IUPAC name is 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine
PubChem CID166327851
Molecular FormulaC13H11BrN4S
Molecular Weight335.23 g/mol
Exact Mass333.99
IUPAC Name4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine
SMILESBrc1cnc2[nH]cc(-c3csc(NC4CC4)n3)c2c1
InChIInChI=1S/C13H11BrN4S/c14-7-3-9-10(5-16-12(9)15-4-7)11-6-19-13(18-11)17-8-1-2-8/h3-6,8H,1-2H2,(H,15,16)(H,17,18)
InChIKeyNFFBOHYATOWDPM-UHFFFAOYSA-N
XLogP4.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.02
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)-N-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine (CID 166327851) is 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine is Brc1cnc2[nH]cc(-c3csc(NC4CC4)n3)c2c1.
What is the InChIKey of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is NFFBOHYATOWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4S/c14-7-3-9-10(5-16-12(9)15-4-7)11-6-19-13(18-11)17-8-1-2-8/h3-6,8H,1-2H2,(H,15,16)(H,17,18).
What are the key properties of 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine?
4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 335.23 g/mol, XLogP of 4.02, 3 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)-N-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 166327851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).