2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline

C10H8Br2N2S — CID 62759054

IUPAC2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESBrc1ccc(NCc2cncs2)c(Br)c1
InChIInChI=1S/C10H8Br2N2S/c11-7-1-2-10(9(12)3-7)14-5-8-4-13-6-15-8/h1-4,6,14H,5H2
InChIKeyJFKHSBFPJGDQRD-UHFFFAOYSA-N
MW348.06 g/mol
LogP4.28
Rot. Bonds3

About 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline

2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 62759054) has the molecular formula C10H8Br2N2S and a molecular weight of 348.06 g/mol. Its IUPAC name is 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID62759054
Molecular FormulaC10H8Br2N2S
Molecular Weight348.06 g/mol
Exact Mass345.88
IUPAC Name2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESBrc1ccc(NCc2cncs2)c(Br)c1
InChIInChI=1S/C10H8Br2N2S/c11-7-1-2-10(9(12)3-7)14-5-8-4-13-6-15-8/h1-4,6,14H,5H2
InChIKeyJFKHSBFPJGDQRD-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline 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

4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline
CID 107787698
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
2,4-dibromo-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43683008
4-bromo-5-fluoro-2-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
CID 116736330
1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62760159
1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114019360
2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130335
4-N,4-N,2-trimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine
CID 62759246
1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107946640
5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758474
2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746510
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline (CID 62759054) is 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline is Brc1ccc(NCc2cncs2)c(Br)c1.
What is the InChIKey of 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is JFKHSBFPJGDQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2S/c11-7-1-2-10(9(12)3-7)14-5-8-4-13-6-15-8/h1-4,6,14H,5H2.
What are the key properties of 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline?
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 348.06 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 62759054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).