4-bromo-3-phenyl-1,2-thiazol-5-amine

C9H7BrN2S — CID 58283706

IUPAC4-bromo-3-phenyl-1,2-thiazol-5-amine
SMILESNc1snc(-c2ccccc2)c1Br
InChIInChI=1S/C9H7BrN2S/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,11H2
InChIKeyJMOPCENJMJWKPZ-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.15
Rot. Bonds1

About 4-bromo-3-phenyl-1,2-thiazol-5-amine

4-bromo-3-phenyl-1,2-thiazol-5-amine (PubChem CID 58283706) has the molecular formula C9H7BrN2S and a molecular weight of 255.14 g/mol. Its IUPAC name is 4-bromo-3-phenyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-phenyl-1,2-thiazol-5-amine
PubChem CID58283706
Molecular FormulaC9H7BrN2S
Molecular Weight255.14 g/mol
Exact Mass253.95
IUPAC Name4-bromo-3-phenyl-1,2-thiazol-5-amine
SMILESNc1snc(-c2ccccc2)c1Br
InChIInChI=1S/C9H7BrN2S/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,11H2
InChIKeyJMOPCENJMJWKPZ-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-phenyl-1,2-thiazol-5-amine?
The IUPAC name of 4-bromo-3-phenyl-1,2-thiazol-5-amine (CID 58283706) is 4-bromo-3-phenyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-bromo-3-phenyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-bromo-3-phenyl-1,2-thiazol-5-amine is Nc1snc(-c2ccccc2)c1Br.
What is the InChIKey of 4-bromo-3-phenyl-1,2-thiazol-5-amine?
The InChIKey is JMOPCENJMJWKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,11H2.
What are the key properties of 4-bromo-3-phenyl-1,2-thiazol-5-amine?
4-bromo-3-phenyl-1,2-thiazol-5-amine has a molecular weight of 255.14 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-phenyl-1,2-thiazol-5-amine is sourced from PubChem (CID 58283706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).