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

C20H22N4O3S — CID 1335305

IUPAC1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
SMILESCCCc1ccc(OCc2nnc(NC(=O)Nc3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C20H22N4O3S/c1-3-4-14-5-9-17(10-6-14)27-13-18-23-24-20(28-18)22-19(25)21-15-7-11-16(26-2)12-8-15/h5-12H,3-4,13H2,1-2H3,(H2,21,22,24,25)
InChIKeyFUUGGGUJSSIKDP-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.72
Rot. Bonds8

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

1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea (PubChem CID 1335305) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
PubChem CID1335305
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
SMILESCCCc1ccc(OCc2nnc(NC(=O)Nc3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C20H22N4O3S/c1-3-4-14-5-9-17(10-6-14)27-13-18-23-24-20(28-18)22-19(25)21-15-7-11-16(26-2)12-8-15/h5-12H,3-4,13H2,1-2H3,(H2,21,22,24,25)
InChIKeyFUUGGGUJSSIKDP-UHFFFAOYSA-N
XLogP4.72
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)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-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 3238317
1-(4-methylphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
CID 811272
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
N-propyl-5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80613826
1-[5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 1418502
1-[5-[(4-butan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 2884307
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 1420599
2-[5-[(4-chlorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 2895875
1-(3,4-dimethylphenyl)-3-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 1343382
N-[5-[2-(4-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 71946087
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea (CID 1335305) is 1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea is CCCc1ccc(OCc2nnc(NC(=O)Nc3ccc(OC)cc3)s2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is FUUGGGUJSSIKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-4-14-5-9-17(10-6-14)27-13-18-23-24-20(28-18)22-19(25)21-15-7-11-16(26-2)12-8-15/h5-12H,3-4,13H2,1-2H3,(H2,21,22,24,25).
What are the key properties of 1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea?
1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 398.49 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 1335305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).