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

C12H19N5O2S — CID 119894256

IUPAC[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESCc1nsc(N2CCN(C(=O)C3CNCCO3)CC2)n1
InChIInChI=1S/C12H19N5O2S/c1-9-14-12(20-15-9)17-5-3-16(4-6-17)11(18)10-8-13-2-7-19-10/h10,13H,2-8H2,1H3
InChIKeyVELLZJHLHXLXBD-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.52
Rot. Bonds2

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

[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone (PubChem CID 119894256) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
PubChem CID119894256
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
SMILESCc1nsc(N2CCN(C(=O)C3CNCCO3)CC2)n1
InChIInChI=1S/C12H19N5O2S/c1-9-14-12(20-15-9)17-5-3-16(4-6-17)11(18)10-8-13-2-7-19-10/h10,13H,2-8H2,1H3
InChIKeyVELLZJHLHXLXBD-UHFFFAOYSA-N
XLogP-0.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119893646
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119894196
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 120801116
[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
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 120637568
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119745412
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119848066

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone (CID 119894256) is [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone is Cc1nsc(N2CCN(C(=O)C3CNCCO3)CC2)n1.
What is the InChIKey of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is VELLZJHLHXLXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-9-14-12(20-15-9)17-5-3-16(4-6-17)11(18)10-8-13-2-7-19-10/h10,13H,2-8H2,1H3.
What are the key properties of [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone?
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 297.38 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119894256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).