1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine

C13H13BrN4S — CID 66379806

IUPAC1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc3cc(Br)ccc3n2C)cs1
InChIInChI=1S/C13H13BrN4S/c1-7(15)13-17-10(6-19-13)12-16-9-5-8(14)3-4-11(9)18(12)2/h3-7H,15H2,1-2H3
InChIKeyQGJIRZKESPCDAX-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.48
Rot. Bonds2

About 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine

1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66379806) has the molecular formula C13H13BrN4S and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66379806
Molecular FormulaC13H13BrN4S
Molecular Weight337.25 g/mol
Exact Mass336.00
IUPAC Name1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc3cc(Br)ccc3n2C)cs1
InChIInChI=1S/C13H13BrN4S/c1-7(15)13-17-10(6-19-13)12-16-9-5-8(14)3-4-11(9)18(12)2/h3-7H,15H2,1-2H3
InChIKeyQGJIRZKESPCDAX-UHFFFAOYSA-N
XLogP3.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine 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

1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66380198
5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole
CID 91644628
2-(5-bromo-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915452
5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 62792169
3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60783314
1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373593
4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 16789350
5-(5-bromo-1-methylbenzimidazol-2-yl)-2,4-difluoroaniline
CID 60836698
2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
CID 83969010
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
CID 177401759
1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669671

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine (CID 66379806) is 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2nc3cc(Br)ccc3n2C)cs1.
What is the InChIKey of 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is QGJIRZKESPCDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4S/c1-7(15)13-17-10(6-19-13)12-16-9-5-8(14)3-4-11(9)18(12)2/h3-7H,15H2,1-2H3.
What are the key properties of 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 337.25 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66379806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).