[3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C12H19N3O2S — CID 71785853

IUPAC[3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOCC2CN(C)C)cs1
InChIInChI=1S/C12H19N3O2S/c1-9-13-11(8-18-9)12(16)15-4-5-17-7-10(15)6-14(2)3/h8,10H,4-7H2,1-3H3
InChIKeyUGGKZOVVYONKRO-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.85
Rot. Bonds3

About [3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 71785853) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID71785853
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOCC2CN(C)C)cs1
InChIInChI=1S/C12H19N3O2S/c1-9-13-11(8-18-9)12(16)15-4-5-17-7-10(15)6-14(2)3/h8,10H,4-7H2,1-3H3
InChIKeyUGGKZOVVYONKRO-UHFFFAOYSA-N
XLogP0.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 71785853) is [3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCOCC2CN(C)C)cs1.
What is the InChIKey of [3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is UGGKZOVVYONKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-13-11(8-18-9)12(16)15-4-5-17-7-10(15)6-14(2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of [3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 269.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 71785853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).