(4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone

C14H17N5OS — CID 110114939

IUPAC(4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCCC(c2ccncn2)C1
InChIInChI=1S/C14H17N5OS/c1-2-11-13(21-18-17-11)14(20)19-7-3-4-10(8-19)12-5-6-15-9-16-12/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyBXIPOGUMAOZPFQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.91
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone

(4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone (PubChem CID 110114939) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
PubChem CID110114939
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name(4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCCC(c2ccncn2)C1
InChIInChI=1S/C14H17N5OS/c1-2-11-13(21-18-17-11)14(20)19-7-3-4-10(8-19)12-5-6-15-9-16-12/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyBXIPOGUMAOZPFQ-UHFFFAOYSA-N
XLogP1.91
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-Methyl-5-propylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53514187
4-propyl-N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}-1,2,3-thiadiazole-5-carboxamide
CID 71779905
(4-Propyl-1,2,3-thiadiazol-5-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631507
4-{1-[1-tert-butyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl}pyrimidin-2-amine
CID 138042212
(4-Amino-3-methyl-1,2-thiazol-5-yl)-[4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 162748719
[(3R)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 92617394
[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 92617395
[(3R)-3-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 92617692
[(3S)-3-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 92617693
[(3R)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 92617694
[(3S)-3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 92617695
[4-[2-(Dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 92618205

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone (CID 110114939) is (4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone is CCc1nnsc1C(=O)N1CCCC(c2ccncn2)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone?
The InChIKey is BXIPOGUMAOZPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-2-11-13(21-18-17-11)14(20)19-7-3-4-10(8-19)12-5-6-15-9-16-12/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone?
(4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110114939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).