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

C11H12N4O2S2 — CID 6487405

IUPAC1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESCOc1cccc(NC(=O)Nc2nc(SC)ns2)c1
InChIInChI=1S/C11H12N4O2S2/c1-17-8-5-3-4-7(6-8)12-9(16)13-10-14-11(18-2)15-19-10/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyGWDBXOFWUUWCRN-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.91
Rot. Bonds4

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

1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 6487405) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID6487405
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC Name1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESCOc1cccc(NC(=O)Nc2nc(SC)ns2)c1
InChIInChI=1S/C11H12N4O2S2/c1-17-8-5-3-4-7(6-8)12-9(16)13-10-14-11(18-2)15-19-10/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyGWDBXOFWUUWCRN-UHFFFAOYSA-N
XLogP2.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-tert-Butylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(3-methoxy-phenyl)-urea
CID 24746846
1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(2-methoxy-phenyl)-urea
CID 3779520
1-[5-(3-Methoxyanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4694173
N-(4-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 5204458
1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(3-methoxy-phenyl)-urea
CID 3779521
1-(4-Ethoxy-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-urea
CID 3779522
1-(2,4-Difluorophenyl)-3-{3-[(2-phenoxyethyl)sulfanyl]-1,2,4-thiadiazol-5-YL}urea
CID 43817204
1-(3-Methoxyphenyl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 727821
Cambridge id 6372767
CID 2895211
1-(2-Methoxyphenyl)-3-[3-(prop-2-EN-1-ylsulfanyl)-1,2,4-thiadiazol-5-YL]urea
CID 43817221
1-(3,4-Dimethoxyphenyl)-3-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-YL]urea
CID 46249603
5-N-(4-methoxyphenyl)-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine
CID 176436846

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea (CID 6487405) is 1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea is COc1cccc(NC(=O)Nc2nc(SC)ns2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is GWDBXOFWUUWCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-17-8-5-3-4-7(6-8)12-9(16)13-10-14-11(18-2)15-19-10/h3-6H,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 296.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 6487405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).