[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone

C15H19N3O2S — CID 110105018

IUPAC[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1cn(C)c(C2CN(C(=O)c3ccc(C)s3)CCO2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-8-17(3)14(16-10)12-9-18(6-7-20-12)15(19)13-5-4-11(2)21-13/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyLOEVFDFDHOXZLI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.31
Rot. Bonds2

About [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone

[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 110105018) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID110105018
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1cn(C)c(C2CN(C(=O)c3ccc(C)s3)CCO2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-8-17(3)14(16-10)12-9-18(6-7-20-12)15(19)13-5-4-11(2)21-13/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyLOEVFDFDHOXZLI-UHFFFAOYSA-N
XLogP2.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105148
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 155983479
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 124949665
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 155983480
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124988619
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1,2-dimethylindol-3-yl)methanone
CID 124989987
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 125013448
3-[2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 110105323
3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124992992
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 110105302
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 124971623

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone (CID 110105018) is [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone is Cc1cn(C)c(C2CN(C(=O)c3ccc(C)s3)CCO2)n1.
What is the InChIKey of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is LOEVFDFDHOXZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-8-17(3)14(16-10)12-9-18(6-7-20-12)15(19)13-5-4-11(2)21-13/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone?
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 305.40 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 110105018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).