5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine

C11H11N5S2 — CID 80613957

IUPAC5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc2nc(SCc3nnc(N)s3)[nH]c2c1
InChIInChI=1S/C11H11N5S2/c1-6-2-3-7-8(4-6)14-11(13-7)17-5-9-15-16-10(12)18-9/h2-4H,5H2,1H3,(H2,12,16)(H,13,14)
InChIKeyJHVVBWAPTMVLQR-UHFFFAOYSA-N
MW277.38 g/mol
LogP2.60
Rot. Bonds3

About 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine

5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80613957) has the molecular formula C11H11N5S2 and a molecular weight of 277.38 g/mol. Its IUPAC name is 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
PubChem CID80613957
Molecular FormulaC11H11N5S2
Molecular Weight277.38 g/mol
Exact Mass277.05
IUPAC Name5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc2nc(SCc3nnc(N)s3)[nH]c2c1
InChIInChI=1S/C11H11N5S2/c1-6-2-3-7-8(4-6)14-11(13-7)17-5-9-15-16-10(12)18-9/h2-4H,5H2,1H3,(H2,12,16)(H,13,14)
InChIKeyJHVVBWAPTMVLQR-UHFFFAOYSA-N
XLogP2.60
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-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

2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methyl-1H-benzimidazole
CID 104514375
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
5-[(3-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80614562
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
CID 62875439
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 64806306
3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiophen-3-yl]prop-2-yn-1-ol
CID 62874931
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 62873912
6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 3343828
2-amino-2-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-1-ol
CID 64806936

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine (CID 80613957) is 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine is Cc1ccc2nc(SCc3nnc(N)s3)[nH]c2c1.
What is the InChIKey of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JHVVBWAPTMVLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S2/c1-6-2-3-7-8(4-6)14-11(13-7)17-5-9-15-16-10(12)18-9/h2-4H,5H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 277.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80613957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).