[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone

C14H24N4O3S — CID 71786052

IUPAC[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCOCC1CN(C)CCO
InChIInChI=1S/C14H24N4O3S/c1-3-4-12-13(22-16-15-12)14(20)18-6-8-21-10-11(18)9-17(2)5-7-19/h11,19H,3-10H2,1-2H3
InChIKeyOEQNCLXLBWVFMT-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.26
Rot. Bonds7

About [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone

[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 71786052) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID71786052
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCOCC1CN(C)CCO
InChIInChI=1S/C14H24N4O3S/c1-3-4-12-13(22-16-15-12)14(20)18-6-8-21-10-11(18)9-17(2)5-7-19/h11,19H,3-10H2,1-2H3
InChIKeyOEQNCLXLBWVFMT-UHFFFAOYSA-N
XLogP0.26
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone (CID 71786052) is [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCOCC1CN(C)CCO.
What is the InChIKey of [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is OEQNCLXLBWVFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-3-4-12-13(22-16-15-12)14(20)18-6-8-21-10-11(18)9-17(2)5-7-19/h11,19H,3-10H2,1-2H3.
What are the key properties of [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 328.44 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71786052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).