4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine

C6H5BrN4S — CID 172993652

IUPAC4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine
SMILESNc1nc(Br)cn1-c1cscn1
InChIInChI=1S/C6H5BrN4S/c7-4-1-11(6(8)10-4)5-2-12-3-9-5/h1-3H,(H2,8,10)
InChIKeyJIFSTJSHQYIDOM-UHFFFAOYSA-N
MW245.11 g/mol
LogP1.67
Rot. Bonds1

About 4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine

4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine (PubChem CID 172993652) has the molecular formula C6H5BrN4S and a molecular weight of 245.11 g/mol. Its IUPAC name is 4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine.

Molecular Properties

Compound Name4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine
PubChem CID172993652
Molecular FormulaC6H5BrN4S
Molecular Weight245.11 g/mol
Exact Mass243.94
IUPAC Name4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine
SMILESNc1nc(Br)cn1-c1cscn1
InChIInChI=1S/C6H5BrN4S/c7-4-1-11(6(8)10-4)5-2-12-3-9-5/h1-3H,(H2,8,10)
InChIKeyJIFSTJSHQYIDOM-UHFFFAOYSA-N
XLogP1.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine?
The IUPAC name of 4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine (CID 172993652) is 4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine.
What is the SMILES notation for 4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine?
The canonical SMILES for 4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine is Nc1nc(Br)cn1-c1cscn1.
What is the InChIKey of 4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine?
The InChIKey is JIFSTJSHQYIDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4S/c7-4-1-11(6(8)10-4)5-2-12-3-9-5/h1-3H,(H2,8,10).
What are the key properties of 4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine?
4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine has a molecular weight of 245.11 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(1,3-thiazol-4-yl)imidazol-2-amine is sourced from PubChem (CID 172993652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).