5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride

C6H8ClN3OS2 — CID 11971459

IUPAC5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride
SMILESCl.Nc1nnc(-c2cccs2)s1.O
InChIInChI=1S/C6H5N3S2.ClH.H2O/c7-6-9-8-5(11-6)4-2-1-3-10-4;;/h1-3H,(H2,7,9);1H;1H2
InChIKeyVGDQXNBGRIYDHP-UHFFFAOYSA-N
MW237.74 g/mol
LogP1.45
Rot. Bonds1

About 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride

5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride (PubChem CID 11971459) has the molecular formula C6H8ClN3OS2 and a molecular weight of 237.74 g/mol. Its IUPAC name is 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride.

Molecular Properties

Compound Name5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride
PubChem CID11971459
Molecular FormulaC6H8ClN3OS2
Molecular Weight237.74 g/mol
Exact Mass236.98
IUPAC Name5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride
SMILESCl.Nc1nnc(-c2cccs2)s1.O
InChIInChI=1S/C6H5N3S2.ClH.H2O/c7-6-9-8-5(11-6)4-2-1-3-10-4;;/h1-3H,(H2,7,9);1H;1H2
InChIKeyVGDQXNBGRIYDHP-UHFFFAOYSA-N
XLogP1.45
TPSA83.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.74
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride?
The IUPAC name of 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride (CID 11971459) is 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride.
What is the SMILES notation for 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride?
The canonical SMILES for 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride is Cl.Nc1nnc(-c2cccs2)s1.O.
What is the InChIKey of 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride?
The InChIKey is VGDQXNBGRIYDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S2.ClH.H2O/c7-6-9-8-5(11-6)4-2-1-3-10-4;;/h1-3H,(H2,7,9);1H;1H2.
What are the key properties of 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride?
5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride has a molecular weight of 237.74 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride is sourced from PubChem (CID 11971459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).