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

C13H13BrN4S — CID 116868342

IUPAC1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2ccc3c(c2)ncn3C)sc1Br
InChIInChI=1S/C13H13BrN4S/c1-15-6-10-12(14)19-13(17-10)8-3-4-11-9(5-8)16-7-18(11)2/h3-5,7,15H,6H2,1-2H3
InChIKeyJQZQYUKDBAITRZ-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.18
Rot. Bonds3

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

1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 116868342) has the molecular formula C13H13BrN4S and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID116868342
Molecular FormulaC13H13BrN4S
Molecular Weight337.25 g/mol
Exact Mass336.00
IUPAC Name1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2ccc3c(c2)ncn3C)sc1Br
InChIInChI=1S/C13H13BrN4S/c1-15-6-10-12(14)19-13(17-10)8-3-4-11-9(5-8)16-7-18(11)2/h3-5,7,15H,6H2,1-2H3
InChIKeyJQZQYUKDBAITRZ-UHFFFAOYSA-N
XLogP3.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine
CID 116885858
1-[2-(1,3-benzoxazol-6-yl)-5-bromo-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868337
[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol
CID 116889071
2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile
CID 116867225
5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole
CID 116897305
2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine
CID 84604064
5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
CID 177401759
2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
CID 116970087
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
2-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]ethanamine
CID 82387335
1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 116867483
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 116868342) is 1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1nc(-c2ccc3c(c2)ncn3C)sc1Br.
What is the InChIKey of 1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is JQZQYUKDBAITRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4S/c1-15-6-10-12(14)19-13(17-10)8-3-4-11-9(5-8)16-7-18(11)2/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 337.25 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 116868342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).