[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone

C13H21N5O2S — CID 119893646

IUPAC[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESCCc1nsc(N2CCN(C(=O)C3CNCCO3)CC2)n1
InChIInChI=1S/C13H21N5O2S/c1-2-11-15-13(21-16-11)18-6-4-17(5-7-18)12(19)10-9-14-3-8-20-10/h10,14H,2-9H2,1H3
InChIKeyWKWAKBYWPFUSQQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP-0.26
Rot. Bonds3

About [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone

[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone (PubChem CID 119893646) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
PubChem CID119893646
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESCCc1nsc(N2CCN(C(=O)C3CNCCO3)CC2)n1
InChIInChI=1S/C13H21N5O2S/c1-2-11-15-13(21-16-11)18-6-4-17(5-7-18)12(19)10-9-14-3-8-20-10/h10,14H,2-9H2,1H3
InChIKeyWKWAKBYWPFUSQQ-UHFFFAOYSA-N
XLogP-0.26
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119894256
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-pyrrolidin-3-ylmethanone
CID 119899809
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977
[(2S,5S)-5-ethyloxolan-2-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 96539253
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119877152
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-[(2R)-morpholin-2-yl]methanone
CID 95891534
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 56908154
[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 124731165
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
[(1R,2S)-2-aminocyclopentyl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 124684780
[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone (CID 119893646) is [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone is CCc1nsc(N2CCN(C(=O)C3CNCCO3)CC2)n1.
What is the InChIKey of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is WKWAKBYWPFUSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-2-11-15-13(21-16-11)18-6-4-17(5-7-18)12(19)10-9-14-3-8-20-10/h10,14H,2-9H2,1H3.
What are the key properties of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 311.41 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119893646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).