(4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone

C15H19N5O2S — CID 110116403

IUPAC(4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCOC(CCc2ccncn2)C1
InChIInChI=1S/C15H19N5O2S/c1-2-13-14(23-19-18-13)15(21)20-7-8-22-12(9-20)4-3-11-5-6-16-10-17-11/h5-6,10,12H,2-4,7-9H2,1H3
InChIKeyOLCVKSJCYRSRCK-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.36
Rot. Bonds5

About (4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone

(4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone (PubChem CID 110116403) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
PubChem CID110116403
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name(4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCOC(CCc2ccncn2)C1
InChIInChI=1S/C15H19N5O2S/c1-2-13-14(23-19-18-13)15(21)20-7-8-22-12(9-20)4-3-11-5-6-16-10-17-11/h5-6,10,12H,2-4,7-9H2,1H3
InChIKeyOLCVKSJCYRSRCK-UHFFFAOYSA-N
XLogP1.36
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-((5-Fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 122258447
(4-Methyl-1,2,3-thiadiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267532
(4-Propyl-1,2,3-thiadiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267564
(4-Ethylthiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 25550584
(4-Propyl-1,2,3-thiadiazol-5-yl)(4-(pyrimidin-2-yloxy)piperidin-1-yl)methanone
CID 90558804
4-propyl-N-((1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl)-1,2,3-thiadiazole-5-carboxamide
CID 90633362
(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 92071644
(4-Ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114939
(4-Ethylthiadiazol-5-yl)-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115032
(4-Ethylthiadiazol-5-yl)-[6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110115268
(4-Ethylthiadiazol-5-yl)-[6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]methanone
CID 110115329
(4-Ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 110115514

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone (CID 110116403) is (4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone is CCc1nnsc1C(=O)N1CCOC(CCc2ccncn2)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The InChIKey is OLCVKSJCYRSRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-2-13-14(23-19-18-13)15(21)20-7-8-22-12(9-20)4-3-11-5-6-16-10-17-11/h5-6,10,12H,2-4,7-9H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
(4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone has a molecular weight of 333.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 110116403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).