5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C7H7N3S3 — CID 4962191

IUPAC5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cccs2)s1
InChIInChI=1S/C7H7N3S3/c8-6-9-10-7(13-6)12-4-5-2-1-3-11-5/h1-3H,4H2,(H2,8,9)
InChIKeyIXGRQFSVJGXNSG-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.47
Rot. Bonds3

About 5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 4962191) has the molecular formula C7H7N3S3 and a molecular weight of 229.35 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID4962191
Molecular FormulaC7H7N3S3
Molecular Weight229.35 g/mol
Exact Mass228.98
IUPAC Name5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cccs2)s1
InChIInChI=1S/C7H7N3S3/c8-6-9-10-7(13-6)12-4-5-2-1-3-11-5/h1-3H,4H2,(H2,8,9)
InChIKeyIXGRQFSVJGXNSG-UHFFFAOYSA-N
XLogP2.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 83172117
2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole
CID 130628845
N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 51199300
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-thiophen-2-ylbutan-1-one
CID 7760136
5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7760384
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 60712716
5-[[6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-benzodioxol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 4976765
5-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 37136387
3-(thiophen-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 130979384
5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 130884607
2-(4-fluorophenyl)-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 51199298
N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 75413098

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 4962191) is 5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2cccs2)s1.
What is the InChIKey of 5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IXGRQFSVJGXNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S3/c8-6-9-10-7(13-6)12-4-5-2-1-3-11-5/h1-3H,4H2,(H2,8,9).
What are the key properties of 5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 229.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4962191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).