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

C17H15FN4O3S — CID 1075860

IUPAC1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1
InChIInChI=1S/C17H15FN4O3S/c1-24-11-6-8-12(9-7-11)25-10-15-21-22-17(26-15)20-16(23)19-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20,22,23)
InChIKeyLJJOAPPEHQUPKB-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.91
Rot. Bonds6

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

1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea (PubChem CID 1075860) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
PubChem CID1075860
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1
InChIInChI=1S/C17H15FN4O3S/c1-24-11-6-8-12(9-7-11)25-10-15-21-22-17(26-15)20-16(23)19-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20,22,23)
InChIKeyLJJOAPPEHQUPKB-UHFFFAOYSA-N
XLogP3.91
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-[(2-Fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 949458
1-(2-Fluorophenyl)-3-(5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)urea
CID 950184
1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 1362085
1-(4-Fluorophenyl)-3-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]urea
CID 1389244
1-{5-[(2-Fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-fluorophenyl)urea
CID 1951470
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N'-(4-methoxyphenyl)urea
CID 3238317
1-(4-Methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 4622855
N-(4-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 4622858
Mls000758482
CID 331795
1-(4-Methoxyphenyl)-3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 659530
1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
CID 660721
1-(4-Ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 881180

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea (CID 1075860) is 1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea is COc1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is LJJOAPPEHQUPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-24-11-6-8-12(9-7-11)25-10-15-21-22-17(26-15)20-16(23)19-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20,22,23).
What are the key properties of 1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 374.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 1075860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).