(4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone

C11H9BrN2OS — CID 1482554

IUPAC(4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1ncc(C(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C11H9BrN2OS/c1-13-11-14-6-9(16-11)10(15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyYALMKAJOGCWREK-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.18
Rot. Bonds3

About (4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone

(4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 1482554) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is (4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone
PubChem CID1482554
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name(4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1ncc(C(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C11H9BrN2OS/c1-13-11-14-6-9(16-11)10(15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyYALMKAJOGCWREK-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone (CID 1482554) is (4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone is CNc1ncc(C(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of (4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is YALMKAJOGCWREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-13-11-14-6-9(16-11)10(15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14).
What are the key properties of (4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
(4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 297.18 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 1482554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).