4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine

C11H8BrN3S — CID 62047236

IUPAC4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2c[nH]c3cc(Br)ccc23)cs1
InChIInChI=1S/C11H8BrN3S/c12-6-1-2-7-8(4-14-9(7)3-6)10-5-16-11(13)15-10/h1-5,14H,(H2,13,15)
InChIKeyDOQNYAAGXOGJAF-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.64
Rot. Bonds1

About 4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine

4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 62047236) has the molecular formula C11H8BrN3S and a molecular weight of 294.18 g/mol. Its IUPAC name is 4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID62047236
Molecular FormulaC11H8BrN3S
Molecular Weight294.18 g/mol
Exact Mass292.96
IUPAC Name4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2c[nH]c3cc(Br)ccc23)cs1
InChIInChI=1S/C11H8BrN3S/c12-6-1-2-7-8(4-14-9(7)3-6)10-5-16-11(13)15-10/h1-5,14H,(H2,13,15)
InChIKeyDOQNYAAGXOGJAF-UHFFFAOYSA-N
XLogP3.64
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine (CID 62047236) is 4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine is Nc1nc(-c2c[nH]c3cc(Br)ccc23)cs1.
What is the InChIKey of 4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is DOQNYAAGXOGJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3S/c12-6-1-2-7-8(4-14-9(7)3-6)10-5-16-11(13)15-10/h1-5,14H,(H2,13,15).
What are the key properties of 4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine?
4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 294.18 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62047236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).