1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one

C18H26N6O2S — CID 42901676

IUPAC1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
SMILESCCN1CCN(C(=O)C(C)Sc2nnnn2-c2cc(C)ccc2OC)CC1
InChIInChI=1S/C18H26N6O2S/c1-5-22-8-10-23(11-9-22)17(25)14(3)27-18-19-20-21-24(18)15-12-13(2)6-7-16(15)26-4/h6-7,12,14H,5,8-11H2,1-4H3
InChIKeyJYXRDBWREVZONV-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.62
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one

1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one (PubChem CID 42901676) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
PubChem CID42901676
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
SMILESCCN1CCN(C(=O)C(C)Sc2nnnn2-c2cc(C)ccc2OC)CC1
InChIInChI=1S/C18H26N6O2S/c1-5-22-8-10-23(11-9-22)17(25)14(3)27-18-19-20-21-24(18)15-12-13(2)6-7-16(15)26-4/h6-7,12,14H,5,8-11H2,1-4H3
InChIKeyJYXRDBWREVZONV-UHFFFAOYSA-N
XLogP1.62
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one with MolForge

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Related Compounds

1-[(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 8682951
1-(4-ethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 5134559
(2S)-1-(4-ethylpiperazin-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 7762419
N-cyclopentyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 5214277
(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 7449247
(2S)-N-cyclohexyl-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7043334
(2R)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one
CID 7674674
(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 8682781
(2S)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 9329282
(2R)-N-(tert-butylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9461709
(2S)-N-(4-fluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7449265
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 22109566

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one (CID 42901676) is 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one is CCN1CCN(C(=O)C(C)Sc2nnnn2-c2cc(C)ccc2OC)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
The InChIKey is JYXRDBWREVZONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-5-22-8-10-23(11-9-22)17(25)14(3)27-18-19-20-21-24(18)15-12-13(2)6-7-16(15)26-4/h6-7,12,14H,5,8-11H2,1-4H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one has a molecular weight of 390.51 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one is sourced from PubChem (CID 42901676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).