[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone

C13H22N4O2S — CID 71786050

IUPAC[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCOCC1CN(C)C
InChIInChI=1S/C13H22N4O2S/c1-4-5-11-12(20-15-14-11)13(18)17-6-7-19-9-10(17)8-16(2)3/h10H,4-9H2,1-3H3
InChIKeyGUKVQEUMNRBRPM-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.89
Rot. Bonds5

About [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone

[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 71786050) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID71786050
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCOCC1CN(C)C
InChIInChI=1S/C13H22N4O2S/c1-4-5-11-12(20-15-14-11)13(18)17-6-7-19-9-10(17)8-16(2)3/h10H,4-9H2,1-3H3
InChIKeyGUKVQEUMNRBRPM-UHFFFAOYSA-N
XLogP0.89
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 79028325
[2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 65209829
1-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone
CID 97040273
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
CID 71786025
(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207236
(4-ethylthiadiazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124943736
(4-ethylthiadiazol-5-yl)-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326220
cyclohexyl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040260
[(2R)-2-methylpiperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 82755954
[3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 71785859
1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040394

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone (CID 71786050) is [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCOCC1CN(C)C.
What is the InChIKey of [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is GUKVQEUMNRBRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-5-11-12(20-15-14-11)13(18)17-6-7-19-9-10(17)8-16(2)3/h10H,4-9H2,1-3H3.
What are the key properties of [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 298.41 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71786050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).