5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine

C12H9N3OS — CID 12593782

IUPAC5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccco3)s2)cc1
InChIInChI=1S/C12H9N3OS/c1-2-5-9(6-3-1)13-12-15-14-11(17-12)10-7-4-8-16-10/h1-8H,(H,13,15)
InChIKeyKAZJYKGSBDOMDF-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.54
Rot. Bonds3

About 5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine

5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 12593782) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID12593782
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3ccco3)s2)cc1
InChIInChI=1S/C12H9N3OS/c1-2-5-9(6-3-1)13-12-15-14-11(17-12)10-7-4-8-16-10/h1-8H,(H,13,15)
InChIKeyKAZJYKGSBDOMDF-UHFFFAOYSA-N
XLogP3.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 3150913
1-[5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 921409
Mt KARI-IN-2
CID 162652039
Mt KARI-IN-4
CID 162658771
N-(5-Furan-2-yl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 646084
1-(5-Furan-2-yl-[1,3,4]thiadiazol-2-yl)-3-(2-methoxy-phenyl)-urea
CID 948450
1-(3-Chlorophenyl)-3-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)urea
CID 741055
1-(3,4-Difluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 166962679
Cambridge id 6372899
CID 1335408
N-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]-2-(4-phenyl-1-piperazinyl)acetamide
CID 2817090
5-(Furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 13310480
N-phenyl-5-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1,3,4-thiadiazol-2-amine
CID 51368396

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine (CID 12593782) is 5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine is c1ccc(Nc2nnc(-c3ccco3)s2)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KAZJYKGSBDOMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-2-5-9(6-3-1)13-12-15-14-11(17-12)10-7-4-8-16-10/h1-8H,(H,13,15).
What are the key properties of 5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine?
5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 243.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 12593782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).