2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone

C15H17N3O3S2 — CID 3296608

IUPAC2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2nsc(SCC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C15H17N3O3S2/c1-20-12-4-2-11(3-5-12)14-16-15(23-17-14)22-10-13(19)18-6-8-21-9-7-18/h2-5H,6-10H2,1H3
InChIKeyQKERFMWENHSADV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.16
Rot. Bonds5

About 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone

2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 3296608) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID3296608
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2nsc(SCC(=O)N3CCOCC3)n2)cc1
InChIInChI=1S/C15H17N3O3S2/c1-20-12-4-2-11(3-5-12)14-16-15(23-17-14)22-10-13(19)18-6-8-21-9-7-18/h2-5H,6-10H2,1H3
InChIKeyQKERFMWENHSADV-UHFFFAOYSA-N
XLogP2.16
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 3296608) is 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone is COc1ccc(-c2nsc(SCC(=O)N3CCOCC3)n2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is QKERFMWENHSADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-20-12-4-2-11(3-5-12)14-16-15(23-17-14)22-10-13(19)18-6-8-21-9-7-18/h2-5H,6-10H2,1H3.
What are the key properties of 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 351.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 3296608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).