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

C18H18N4O3S — CID 1075777

IUPAC1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccc(Cc2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1
InChIInChI=1S/C18H18N4O3S/c1-24-14-8-6-12(7-9-14)10-16-21-22-18(26-16)20-17(23)19-13-4-3-5-15(11-13)25-2/h3-9,11H,10H2,1-2H3,(H2,19,20,22,23)
InChIKeyLIEZPNLIEZLMTM-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.79
Rot. Bonds6

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

1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea (PubChem CID 1075777) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
PubChem CID1075777
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccc(Cc2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1
InChIInChI=1S/C18H18N4O3S/c1-24-14-8-6-12(7-9-14)10-16-21-22-18(26-16)20-17(23)19-13-4-3-5-15(11-13)25-2/h3-9,11H,10H2,1-2H3,(H2,19,20,22,23)
InChIKeyLIEZPNLIEZLMTM-UHFFFAOYSA-N
XLogP3.79
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N'-(4-methoxyphenyl)urea
CID 3238317
N-(4-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 4622858
1-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-3-p-tolyl-urea
CID 1075705
1-(2-Methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea
CID 2895799
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 645405
1-(4-Methoxyphenyl)-3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 659530
1-[5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 1075793
2-(5-{[(3-methoxyphenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)-N-phenylacetamide
CID 1075852
N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(4-methoxyphenyl)butanediamide
CID 1402367
1-(5-Benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea (CID 1075777) is 1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea is COc1ccc(Cc2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is LIEZPNLIEZLMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-24-14-8-6-12(7-9-14)10-16-21-22-18(26-16)20-17(23)19-13-4-3-5-15(11-13)25-2/h3-9,11H,10H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea?
1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 370.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 1075777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).