(4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone

C16H21N5O2S — CID 124965900

IUPAC(4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCO[C@H](CCc2cc(C)ncn2)C1
InChIInChI=1S/C16H21N5O2S/c1-3-14-15(24-20-19-14)16(22)21-6-7-23-13(9-21)5-4-12-8-11(2)17-10-18-12/h8,10,13H,3-7,9H2,1-2H3/t13-/m1/s1
InChIKeyIIFRYNNZAKMFCZ-CYBMUJFWSA-N
MW347.44 g/mol
LogP1.67
Rot. Bonds5

About (4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone

(4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone (PubChem CID 124965900) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
PubChem CID124965900
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name(4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCO[C@H](CCc2cc(C)ncn2)C1
InChIInChI=1S/C16H21N5O2S/c1-3-14-15(24-20-19-14)16(22)21-6-7-23-13(9-21)5-4-12-8-11(2)17-10-18-12/h8,10,13H,3-7,9H2,1-2H3/t13-/m1/s1
InChIKeyIIFRYNNZAKMFCZ-CYBMUJFWSA-N
XLogP1.67
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.67
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)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone (CID 124965900) is (4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone is CCc1nnsc1C(=O)N1CCO[C@H](CCc2cc(C)ncn2)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?
The InChIKey is IIFRYNNZAKMFCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-3-14-15(24-20-19-14)16(22)21-6-7-23-13(9-21)5-4-12-8-11(2)17-10-18-12/h8,10,13H,3-7,9H2,1-2H3/t13-/m1/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone has a molecular weight of 347.44 g/mol, XLogP of 1.67, 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)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 124965900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).