5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride

C6H6ClN3OS — CID 11971455

IUPAC5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C6H5N3OS.ClH/c7-6-9-8-5(11-6)4-2-1-3-10-4;/h1-3H,(H2,7,9);1H
InChIKeyJBPUDDMEBHPNAX-UHFFFAOYSA-N
MW203.65 g/mol
LogP1.80
Rot. Bonds1

About 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride

5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 11971455) has the molecular formula C6H6ClN3OS and a molecular weight of 203.65 g/mol. Its IUPAC name is 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID11971455
Molecular FormulaC6H6ClN3OS
Molecular Weight203.65 g/mol
Exact Mass202.99
IUPAC Name5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C6H5N3OS.ClH/c7-6-9-8-5(11-6)4-2-1-3-10-4;/h1-3H,(H2,7,9);1H
InChIKeyJBPUDDMEBHPNAX-UHFFFAOYSA-N
XLogP1.80
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride (CID 11971455) is 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride is Cl.Nc1nnc(-c2ccco2)s1.
What is the InChIKey of 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is JBPUDDMEBHPNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS.ClH/c7-6-9-8-5(11-6)4-2-1-3-10-4;/h1-3H,(H2,7,9);1H.
What are the key properties of 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride?
5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 203.65 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 11971455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).