[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine

C12H12N4S — CID 63638262

IUPAC[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H12N4S/c13-6-8-7-17-12(14-8)5-11-15-9-3-1-2-4-10(9)16-11/h1-4,7H,5-6,13H2,(H,15,16)
InChIKeySMLVHMYOFQAOLL-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.07
Rot. Bonds3

About [2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine

[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 63638262) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
PubChem CID63638262
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H12N4S/c13-6-8-7-17-12(14-8)5-11-15-9-3-1-2-4-10(9)16-11/h1-4,7H,5-6,13H2,(H,15,16)
InChIKeySMLVHMYOFQAOLL-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine 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

methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
CID 107039676
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64545302
ethyl 2-(1H-benzimidazol-2-ylmethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526183
6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine
CID 96604108
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
CID 165348409
CID 58296357
CID 58296357
3-(1H-benzimidazol-2-ylmethyl)aniline
CID 65346591
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
CID 87640795
CID 87640795

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine (CID 63638262) is [2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine is NCc1csc(Cc2nc3ccccc3[nH]2)n1.
What is the InChIKey of [2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is SMLVHMYOFQAOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c13-6-8-7-17-12(14-8)5-11-15-9-3-1-2-4-10(9)16-11/h1-4,7H,5-6,13H2,(H,15,16).
What are the key properties of [2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine?
[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 244.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 63638262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).