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

C11H12N4O2S — CID 4622855

IUPAC1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C11H12N4O2S/c1-7-14-15-11(18-7)13-10(16)12-8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,12,13,15,16)
InChIKeyCVDCFIVVUWIDAC-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.50
Rot. Bonds3

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

1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 4622855) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID4622855
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C11H12N4O2S/c1-7-14-15-11(18-7)13-10(16)12-8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,12,13,15,16)
InChIKeyCVDCFIVVUWIDAC-UHFFFAOYSA-N
XLogP2.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-3-(5-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-(4-Methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 881214
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-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 4812120
1-(2-Fluorophenyl)-3-{5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
CID 1075860
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-(2-Methoxyphenyl)-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 1965168
Mls000758482
CID 331795

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 4622855) is 1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is COc1ccc(NC(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is CVDCFIVVUWIDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-14-15-11(18-7)13-10(16)12-8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,12,13,15,16).
What are the key properties of 1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 264.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 4622855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).