3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea

C13H16F2N4O3S — CID 75380293

IUPAC3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCOCCN(Cc1ccc(C)o1)C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C13H16F2N4O3S/c1-8-3-4-9(22-8)7-19(5-6-21-2)13(20)16-12-18-17-11(23-12)10(14)15/h3-4,10H,5-7H2,1-2H3,(H,16,18,20)
InChIKeyNOKSNEPRIDPEBS-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.06
Rot. Bonds7

About 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea

3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 75380293) has the molecular formula C13H16F2N4O3S and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID75380293
Molecular FormulaC13H16F2N4O3S
Molecular Weight346.36 g/mol
Exact Mass346.09
IUPAC Name3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCOCCN(Cc1ccc(C)o1)C(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C13H16F2N4O3S/c1-8-3-4-9(22-8)7-19(5-6-21-2)13(20)16-12-18-17-11(23-12)10(14)15/h3-4,10H,5-7H2,1-2H3,(H,16,18,20)
InChIKeyNOKSNEPRIDPEBS-UHFFFAOYSA-N
XLogP3.06
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]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 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea (CID 75380293) is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea is COCCN(Cc1ccc(C)o1)C(=O)Nc1nnc(C(F)F)s1.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is NOKSNEPRIDPEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O3S/c1-8-3-4-9(22-8)7-19(5-6-21-2)13(20)16-12-18-17-11(23-12)10(14)15/h3-4,10H,5-7H2,1-2H3,(H,16,18,20).
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea?
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 346.36 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 75380293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).