5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine

C7H6BrN3S — CID 83720866

IUPAC5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc[nH]c2)c(Br)s1
InChIInChI=1S/C7H6BrN3S/c8-6-5(11-7(9)12-6)4-1-2-10-3-4/h1-3,10H,(H2,9,11)
InChIKeyBSWUULGLGGVZLZ-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.48
Rot. Bonds1

About 5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine

5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine (PubChem CID 83720866) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
PubChem CID83720866
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc[nH]c2)c(Br)s1
InChIInChI=1S/C7H6BrN3S/c8-6-5(11-7(9)12-6)4-1-2-10-3-4/h1-3,10H,(H2,9,11)
InChIKeyBSWUULGLGGVZLZ-UHFFFAOYSA-N
XLogP2.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine (CID 83720866) is 5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine is Nc1nc(-c2cc[nH]c2)c(Br)s1.
What is the InChIKey of 5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is BSWUULGLGGVZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c8-6-5(11-7(9)12-6)4-1-2-10-3-4/h1-3,10H,(H2,9,11).
What are the key properties of 5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine?
5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 244.12 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83720866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).