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

C13H9FN4O2S — CID 3150913

IUPAC1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C13H9FN4O2S/c14-8-3-5-9(6-4-8)15-12(19)16-13-18-17-11(21-13)10-2-1-7-20-10/h1-7H,(H2,15,16,18,19)
InChIKeyMYEFTGYDTLRNGC-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.58
Rot. Bonds3

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

1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 3150913) has the molecular formula C13H9FN4O2S and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID3150913
Molecular FormulaC13H9FN4O2S
Molecular Weight304.31 g/mol
Exact Mass304.04
IUPAC Name1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C13H9FN4O2S/c14-8-3-5-9(6-4-8)15-12(19)16-13-18-17-11(21-13)10-2-1-7-20-10/h1-7H,(H2,15,16,18,19)
InChIKeyMYEFTGYDTLRNGC-UHFFFAOYSA-N
XLogP3.58
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 921409
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-furanylmethyl)acetamide
CID 2350751
N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 3680894
Mt KARI-IN-2
CID 162652039
Mt KARI-IN-4
CID 162658771
N-(5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 3630385
N-[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 8484019
1-(5-Furan-2-yl-[1,3,4]thiadiazol-2-yl)-3-(2-methoxy-phenyl)-urea
CID 948450
N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 30864370
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea (CID 3150913) is 1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1ccc(F)cc1)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is MYEFTGYDTLRNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2S/c14-8-3-5-9(6-4-8)15-12(19)16-13-18-17-11(21-13)10-2-1-7-20-10/h1-7H,(H2,15,16,18,19).
What are the key properties of 1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 304.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 3150913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).