[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea

C7H6N4OS2 — CID 71374888

IUPAC[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
SMILESNC(=S)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C7H6N4OS2/c8-6(13)9-7-11-10-5(14-7)4-2-1-3-12-4/h1-3H,(H3,8,9,11,13)
InChIKeyKKDNBBBMHCDAGO-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.45
Rot. Bonds2

About [5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea

[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea (PubChem CID 71374888) has the molecular formula C7H6N4OS2 and a molecular weight of 226.29 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
PubChem CID71374888
Molecular FormulaC7H6N4OS2
Molecular Weight226.29 g/mol
Exact Mass226.00
IUPAC Name[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
SMILESNC(=S)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C7H6N4OS2/c8-6(13)9-7-11-10-5(14-7)4-2-1-3-12-4/h1-3H,(H3,8,9,11,13)
InChIKeyKKDNBBBMHCDAGO-UHFFFAOYSA-N
XLogP1.45
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea?
The IUPAC name of [5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea (CID 71374888) is [5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea is NC(=S)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea?
The InChIKey is KKDNBBBMHCDAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS2/c8-6(13)9-7-11-10-5(14-7)4-2-1-3-12-4/h1-3H,(H3,8,9,11,13).
What are the key properties of [5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea?
[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]thiourea has a molecular weight of 226.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 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-yl]thiourea is sourced from PubChem (CID 71374888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).