5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C17H15N5S2 — CID 1270560

IUPAC5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2nc3ccccc3n2Cc2ccccc2)s1
InChIInChI=1S/C17H15N5S2/c18-16-20-21-17(24-16)23-11-15-19-13-8-4-5-9-14(13)22(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,20)
InChIKeyMOGVTPJASBPWDN-UHFFFAOYSA-N
MW353.48 g/mol
LogP3.81
Rot. Bonds5

About 5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 1270560) has the molecular formula C17H15N5S2 and a molecular weight of 353.48 g/mol. Its IUPAC name is 5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID1270560
Molecular FormulaC17H15N5S2
Molecular Weight353.48 g/mol
Exact Mass353.08
IUPAC Name5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2nc3ccccc3n2Cc2ccccc2)s1
InChIInChI=1S/C17H15N5S2/c18-16-20-21-17(24-16)23-11-15-19-13-8-4-5-9-14(13)22(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,20)
InChIKeyMOGVTPJASBPWDN-UHFFFAOYSA-N
XLogP3.81
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine 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-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 23610017
1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
1-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2773107
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-benzyl-2-propylbenzimidazole
CID 764560
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18878257
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 77089289
1-benzyl-2-chlorobenzimidazole
CID 3821987
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(1-benzyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 2458488
1-benzyl-N-[(1-benzylbenzimidazol-2-yl)methyl]benzimidazol-2-amine
CID 2859099
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 1270560) is 5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2nc3ccccc3n2Cc2ccccc2)s1.
What is the InChIKey of 5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MOGVTPJASBPWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S2/c18-16-20-21-17(24-16)23-11-15-19-13-8-4-5-9-14(13)22(15)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,20).
What are the key properties of 5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 353.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1270560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).