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

C17H16N4O3S — CID 1075797

IUPAC1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccc(NC(=O)Nc2nnc(-c3ccccc3OC)s2)cc1
InChIInChI=1S/C17H16N4O3S/c1-23-12-9-7-11(8-10-12)18-16(22)19-17-21-20-15(25-17)13-5-3-4-6-14(13)24-2/h3-10H,1-2H3,(H2,18,19,21,22)
InChIKeyFCOKXQSNTNRFDQ-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.87
Rot. Bonds5

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

1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 1075797) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID1075797
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccc(NC(=O)Nc2nnc(-c3ccccc3OC)s2)cc1
InChIInChI=1S/C17H16N4O3S/c1-23-12-9-7-11(8-10-12)18-16(22)19-17-21-20-15(25-17)13-5-3-4-6-14(13)24-2/h3-10H,1-2H3,(H2,18,19,21,22)
InChIKeyFCOKXQSNTNRFDQ-UHFFFAOYSA-N
XLogP3.87
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 977320
1-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 1385010
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 3238317
2-hydroxy-3-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-2-methylpropanoic acid
CID 122094679
4-bromo-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4562211
1-[5-(2-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]urea
CID 166963054
2-(4-ethylphenoxy)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1382131
1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 808856
2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 7096021
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
CID 7096036

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea (CID 1075797) is 1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea is COc1ccc(NC(=O)Nc2nnc(-c3ccccc3OC)s2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is FCOKXQSNTNRFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-23-12-9-7-11(8-10-12)18-16(22)19-17-21-20-15(25-17)13-5-3-4-6-14(13)24-2/h3-10H,1-2H3,(H2,18,19,21,22).
What are the key properties of 1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea?
1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 356.41 g/mol, XLogP of 3.87, 5 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-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 1075797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).