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

C12H20N4O3S — CID 71786012

IUPAC[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCOCC1CN(C)CCO
InChIInChI=1S/C12H20N4O3S/c1-9-11(20-14-13-9)12(18)16-4-6-19-8-10(16)7-15(2)3-5-17/h10,17H,3-8H2,1-2H3
InChIKeyWWKUWKVHOZLEGG-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.39
Rot. Bonds5

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

[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 71786012) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID71786012
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCOCC1CN(C)CCO
InChIInChI=1S/C12H20N4O3S/c1-9-11(20-14-13-9)12(18)16-4-6-19-8-10(16)7-15(2)3-5-17/h10,17H,3-8H2,1-2H3
InChIKeyWWKUWKVHOZLEGG-UHFFFAOYSA-N
XLogP-0.39
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.39
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-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone (CID 71786012) is [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCOCC1CN(C)CCO.
What is the InChIKey of [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is WWKUWKVHOZLEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9-11(20-14-13-9)12(18)16-4-6-19-8-10(16)7-15(2)3-5-17/h10,17H,3-8H2,1-2H3.
What are the key properties of [3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 300.38 g/mol, XLogP of -0.39, 5 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-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71786012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).