4-(3-bromophenyl)-1,3-thiazol-2-amine

C9H7BrN2S — CID 723330

IUPAC4-(3-bromophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChIKeyPDNKBFMOKUBDDR-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.15
Rot. Bonds1

About 4-(3-bromophenyl)-1,3-thiazol-2-amine

4-(3-bromophenyl)-1,3-thiazol-2-amine (PubChem CID 723330) has the molecular formula C9H7BrN2S and a molecular weight of 255.14 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-1,3-thiazol-2-amine
PubChem CID723330
Molecular FormulaC9H7BrN2S
Molecular Weight255.14 g/mol
Exact Mass253.95
IUPAC Name4-(3-bromophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChIKeyPDNKBFMOKUBDDR-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

Analyze 4-(3-bromophenyl)-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
2-(2-Cyclopentylidenehydrazinyl)-4-phenylthiazole
CID 584447
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
2-Hydrazinyl-4-phenylthiazole
CID 98613
4-(2-Bromophenyl)-1,3-thiazol-2-amine
CID 661954
4-(4-Fluorophenyl)-1,3-thiazol-2-amine
CID 722371
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
4-m-Tolyl-thiazol-2-ylamine
CID 220170
4-(2,4-Dimethylphenyl)-1,3-thiazol-2(3H)-imine
CID 673685

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-bromophenyl)-1,3-thiazol-2-amine (CID 723330) is 4-(3-bromophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 4-(3-bromophenyl)-1,3-thiazol-2-amine?
The InChIKey is PDNKBFMOKUBDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12).
What are the key properties of 4-(3-bromophenyl)-1,3-thiazol-2-amine?
4-(3-bromophenyl)-1,3-thiazol-2-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-(3-bromophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 723330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).