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

C11H18N4O2S — CID 71786010

IUPAC[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCOCC1CN(C)C
InChIInChI=1S/C11H18N4O2S/c1-8-10(18-13-12-8)11(16)15-4-5-17-7-9(15)6-14(2)3/h9H,4-7H2,1-3H3
InChIKeyOPPJQBRCGKGGKE-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.25
Rot. Bonds3

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

[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 71786010) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID71786010
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCOCC1CN(C)C
InChIInChI=1S/C11H18N4O2S/c1-8-10(18-13-12-8)11(16)15-4-5-17-7-9(15)6-14(2)3/h9H,4-7H2,1-3H3
InChIKeyOPPJQBRCGKGGKE-UHFFFAOYSA-N
XLogP0.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone (CID 71786010) is [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCOCC1CN(C)C.
What is the InChIKey of [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is OPPJQBRCGKGGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8-10(18-13-12-8)11(16)15-4-5-17-7-9(15)6-14(2)3/h9H,4-7H2,1-3H3.
What are the key properties of [3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-[(dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 270.36 g/mol, XLogP of 0.25, 3 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-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71786010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).