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

C18H18N4O2S — CID 2895799

IUPAC1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1nnc(C(C)c2ccccc2)s1
InChIInChI=1S/C18H18N4O2S/c1-12(13-8-4-3-5-9-13)16-21-22-18(25-16)20-17(23)19-14-10-6-7-11-15(14)24-2/h3-12H,1-2H3,(H2,19,20,22,23)
InChIKeyKSAIUVABNJIGII-UHFFFAOYSA-N
MW354.44 g/mol
LogP4.34
Rot. Bonds5

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

1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 2895799) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID2895799
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1nnc(C(C)c2ccccc2)s1
InChIInChI=1S/C18H18N4O2S/c1-12(13-8-4-3-5-9-13)16-21-22-18(25-16)20-17(23)19-14-10-6-7-11-15(14)24-2/h3-12H,1-2H3,(H2,19,20,22,23)
InChIKeyKSAIUVABNJIGII-UHFFFAOYSA-N
XLogP4.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-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-[(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-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 1965168
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-[5-(4-Methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 1075777
1-[5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 1075793
N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(2-ethoxyphenyl)butanediamide
CID 1394537
N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(4-methoxyphenyl)butanediamide
CID 1402367

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea (CID 2895799) is 1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea is COc1ccccc1NC(=O)Nc1nnc(C(C)c2ccccc2)s1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is KSAIUVABNJIGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12(13-8-4-3-5-9-13)16-21-22-18(25-16)20-17(23)19-14-10-6-7-11-15(14)24-2/h3-12H,1-2H3,(H2,19,20,22,23).
What are the key properties of 1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea?
1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 354.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 2895799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).