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

C14H17N5O2S — CID 110115514

IUPAC(4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCOC(c2nccc(C)n2)C1
InChIInChI=1S/C14H17N5O2S/c1-3-10-12(22-18-17-10)14(20)19-6-7-21-11(8-19)13-15-5-4-9(2)16-13/h4-5,11H,3,6-8H2,1-2H3
InChIKeyJCKDNEZBOUGRMO-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.41
Rot. Bonds3

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

(4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone (PubChem CID 110115514) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
PubChem CID110115514
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name(4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCOC(c2nccc(C)n2)C1
InChIInChI=1S/C14H17N5O2S/c1-3-10-12(22-18-17-10)14(20)19-6-7-21-11(8-19)13-15-5-4-9(2)16-13/h4-5,11H,3,6-8H2,1-2H3
InChIKeyJCKDNEZBOUGRMO-UHFFFAOYSA-N
XLogP1.41
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone (CID 110115514) is (4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone is CCc1nnsc1C(=O)N1CCOC(c2nccc(C)n2)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone?
The InChIKey is JCKDNEZBOUGRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-3-10-12(22-18-17-10)14(20)19-6-7-21-11(8-19)13-15-5-4-9(2)16-13/h4-5,11H,3,6-8H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone?
(4-ethylthiadiazol-5-yl)-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone has a molecular weight of 319.39 g/mol, XLogP of 1.41, 3 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-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110115514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).