2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine

C10H7BrN4S — CID 116864352

IUPAC2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine
SMILESNc1nc(-c2ccc3nc[nH]c3c2)sc1Br
InChIInChI=1S/C10H7BrN4S/c11-8-9(12)15-10(16-8)5-1-2-6-7(3-5)14-4-13-6/h1-4H,12H2,(H,13,14)
InChIKeyZALHJKMKAIVFBB-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.03
Rot. Bonds1

About 2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine

2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine (PubChem CID 116864352) has the molecular formula C10H7BrN4S and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine
PubChem CID116864352
Molecular FormulaC10H7BrN4S
Molecular Weight295.17 g/mol
Exact Mass293.96
IUPAC Name2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine
SMILESNc1nc(-c2ccc3nc[nH]c3c2)sc1Br
InChIInChI=1S/C10H7BrN4S/c11-8-9(12)15-10(16-8)5-1-2-6-7(3-5)14-4-13-6/h1-4H,12H2,(H,13,14)
InChIKeyZALHJKMKAIVFBB-UHFFFAOYSA-N
XLogP3.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3H-benzimidazol-5-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886203
2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol
CID 116889823
2-(3H-benzimidazol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82500263
2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine
CID 82385621
5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
CID 82491411
5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine
CID 116864269
5-bromo-2-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864276
2-(3H-benzimidazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 82497800
2-[2-(3H-benzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1,3-benzoxazole
CID 123750067
4-(3H-benzimidazol-5-yl)-2-(bromomethyl)-1,3-thiazole
CID 116970345
2-(3H-benzimidazol-5-yl)-5-(1,3-benzothiazol-2-yl)-1,3-benzoxazole
CID 129206911
6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole
CID 89475054

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine (CID 116864352) is 2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine is Nc1nc(-c2ccc3nc[nH]c3c2)sc1Br.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine?
The InChIKey is ZALHJKMKAIVFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4S/c11-8-9(12)15-10(16-8)5-1-2-6-7(3-5)14-4-13-6/h1-4H,12H2,(H,13,14).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine?
2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine has a molecular weight of 295.17 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine is sourced from PubChem (CID 116864352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).