2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine

C12H12N4S — CID 82385621

IUPAC2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C12H12N4S/c13-4-3-9-6-17-12(16-9)8-1-2-10-11(5-8)15-7-14-10/h1-2,5-7H,3-4,13H2,(H,14,15)
InChIKeyOYBXKMARJOWZBO-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.19
Rot. Bonds3

About 2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine

2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 82385621) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID82385621
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C12H12N4S/c13-4-3-9-6-17-12(16-9)8-1-2-10-11(5-8)15-7-14-10/h1-2,5-7H,3-4,13H2,(H,14,15)
InChIKeyOYBXKMARJOWZBO-UHFFFAOYSA-N
XLogP2.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol
CID 116889823
2-(3H-benzimidazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 82497800
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
4-(3H-benzimidazol-5-yl)-2-(bromomethyl)-1,3-thiazole
CID 116970345
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
CID 71779216
2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine
CID 116864352
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
CID 110450633
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
CID 175227051
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(3H-benzimidazol-5-yl)acetamide
CID 82547528

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine (CID 82385621) is 2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine is NCCc1csc(-c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of 2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is OYBXKMARJOWZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c13-4-3-9-6-17-12(16-9)8-1-2-10-11(5-8)15-7-14-10/h1-2,5-7H,3-4,13H2,(H,14,15).
What are the key properties of 2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 244.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 82385621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).