(4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

C16H23N5O2S — CID 70784251

IUPAC(4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC(c2nccn2CCOC)C1
InChIInChI=1S/C16H23N5O2S/c1-3-13-14(24-19-18-13)16(22)21-7-4-5-12(11-21)15-17-6-8-20(15)9-10-23-2/h6,8,12H,3-5,7,9-11H2,1-2H3
InChIKeyKJGUAXPPYWDDSE-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.96
Rot. Bonds6

About (4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 70784251) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID70784251
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name(4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC(c2nccn2CCOC)C1
InChIInChI=1S/C16H23N5O2S/c1-3-13-14(24-19-18-13)16(22)21-7-4-5-12(11-21)15-17-6-8-20(15)9-10-23-2/h6,8,12H,3-5,7,9-11H2,1-2H3
InChIKeyKJGUAXPPYWDDSE-UHFFFAOYSA-N
XLogP1.96
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Ethylthiadiazol-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53609240
(4-Ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779782
(4-((2-ethyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 56724023
4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 128970968
4-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129005573
4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129329984
4-ethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129329985
4-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129331284
4-ethyl-N-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129331285
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide
CID 133911063
N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-4-ethyl-1,2,3-thiadiazole-5-carboxamide
CID 56867614
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 110105479

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 70784251) is (4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCCC(c2nccn2CCOC)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is KJGUAXPPYWDDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-13-14(24-19-18-13)16(22)21-7-4-5-12(11-21)15-17-6-8-20(15)9-10-23-2/h6,8,12H,3-5,7,9-11H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 349.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70784251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).