2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone

C18H23N5O3S — CID 41160264

IUPAC2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCCOc1ccc(N2CCn3c(SCC(=O)N4CCOCC4)nnc32)cc1
InChIInChI=1S/C18H23N5O3S/c1-2-26-15-5-3-14(4-6-15)22-7-8-23-17(22)19-20-18(23)27-13-16(24)21-9-11-25-12-10-21/h3-6H,2,7-13H2,1H3
InChIKeyDGCIQBFDMVDWNL-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.78
Rot. Bonds6

About 2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone

2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 41160264) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID41160264
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCCOc1ccc(N2CCn3c(SCC(=O)N4CCOCC4)nnc32)cc1
InChIInChI=1S/C18H23N5O3S/c1-2-26-15-5-3-14(4-6-15)22-7-8-23-17(22)19-20-18(23)27-13-16(24)21-9-11-25-12-10-21/h3-6H,2,7-13H2,1H3
InChIKeyDGCIQBFDMVDWNL-UHFFFAOYSA-N
XLogP1.78
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 41160264) is 2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone is CCOc1ccc(N2CCn3c(SCC(=O)N4CCOCC4)nnc32)cc1.
What is the InChIKey of 2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is DGCIQBFDMVDWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-2-26-15-5-3-14(4-6-15)22-7-8-23-17(22)19-20-18(23)27-13-16(24)21-9-11-25-12-10-21/h3-6H,2,7-13H2,1H3.
What are the key properties of 2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 389.48 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(4-ethoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 41160264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).