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

C14H12N4O3S — CID 948450

IUPAC1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C14H12N4O3S/c1-20-10-6-3-2-5-9(10)15-13(19)16-14-18-17-12(22-14)11-7-4-8-21-11/h2-8H,1H3,(H2,15,16,18,19)
InChIKeyWFXUGQUBKSHLLG-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.45
Rot. Bonds4

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

1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea (PubChem CID 948450) 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-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
PubChem CID948450
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C14H12N4O3S/c1-20-10-6-3-2-5-9(10)15-13(19)16-14-18-17-12(22-14)11-7-4-8-21-11/h2-8H,1H3,(H2,15,16,18,19)
InChIKeyWFXUGQUBKSHLLG-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea (CID 948450) is 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of 1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is WFXUGQUBKSHLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-20-10-6-3-2-5-9(10)15-13(19)16-14-18-17-12(22-14)11-7-4-8-21-11/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-(2-methoxyphenyl)urea?
1-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-(2-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-(2-methoxyphenyl)urea is sourced from PubChem (CID 948450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).