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

C14H12N4O3S — CID 921409

IUPAC1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2nnc(-c3ccco3)s2)cc1
InChIInChI=1S/C14H12N4O3S/c1-20-10-6-4-9(5-7-10)15-13(19)16-14-18-17-12(22-14)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,18,19)
InChIKeyIYAWRJFOYITISL-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.45
Rot. Bonds4

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

1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea (PubChem CID 921409) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
PubChem CID921409
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2nnc(-c3ccco3)s2)cc1
InChIInChI=1S/C14H12N4O3S/c1-20-10-6-4-9(5-7-10)15-13(19)16-14-18-17-12(22-14)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,18,19)
InChIKeyIYAWRJFOYITISL-UHFFFAOYSA-N
XLogP3.45
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 3150913
Mt KARI-IN-2
CID 162652039
Mt KARI-IN-4
CID 162658771
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
1-(2-Fluorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 949182
4-(4-fluorophenoxy)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 32155664
1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide
CID 167947686
1-(4-Chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 921361

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea (CID 921409) is 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2nnc(-c3ccco3)s2)cc1.
What is the InChIKey of 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea?
The InChIKey is IYAWRJFOYITISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-20-10-6-4-9(5-7-10)15-13(19)16-14-18-17-12(22-14)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,18,19).
What are the key properties of 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea?
1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 316.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 921409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).