6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

C14H17N5O2S — CID 110115172

IUPAC6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCCc1nnsc1C(=O)N1CCCC(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C14H17N5O2S/c1-2-10-12(22-18-17-10)13(20)19-7-3-4-9(8-19)11-5-6-15-14(21)16-11/h5-6,9H,2-4,7-8H2,1H3,(H,15,16,21)
InChIKeyFTRKZBGJSOZEHU-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.20
Rot. Bonds3

About 6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 110115172) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID110115172
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCCc1nnsc1C(=O)N1CCCC(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C14H17N5O2S/c1-2-10-12(22-18-17-10)13(20)19-7-3-4-9(8-19)11-5-6-15-14(21)16-11/h5-6,9H,2-4,7-8H2,1H3,(H,15,16,21)
InChIKeyFTRKZBGJSOZEHU-UHFFFAOYSA-N
XLogP1.20
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124947702
6-[1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115171
6-[(3S)-1-(4-chloro-1-propylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125022204
6-[1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115079
6-[(3R)-1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125007295
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 95868526
6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124963530
6-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115129
6-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124988426
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70769853
6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125005483

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (CID 110115172) is 6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is CCc1nnsc1C(=O)N1CCCC(c2ccnc(=O)[nH]2)C1.
What is the InChIKey of 6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is FTRKZBGJSOZEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-2-10-12(22-18-17-10)13(20)19-7-3-4-9(8-19)11-5-6-15-14(21)16-11/h5-6,9H,2-4,7-8H2,1H3,(H,15,16,21).
What are the key properties of 6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 319.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110115172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).