[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone

C12H14N4O2S — CID 125021403

IUPAC[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1cnc([C@@H]2CN(C(=O)c3cncs3)CCO2)[nH]1
InChIInChI=1S/C12H14N4O2S/c1-8-4-14-11(15-8)9-6-16(2-3-18-9)12(17)10-5-13-7-19-10/h4-5,7,9H,2-3,6H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyYJKZEADPYTZJDM-VIFPVBQESA-N
MW278.34 g/mol
LogP1.39
Rot. Bonds2

About [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone

[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 125021403) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID125021403
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1cnc([C@@H]2CN(C(=O)c3cncs3)CCO2)[nH]1
InChIInChI=1S/C12H14N4O2S/c1-8-4-14-11(15-8)9-6-16(2-3-18-9)12(17)10-5-13-7-19-10/h4-5,7,9H,2-3,6H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyYJKZEADPYTZJDM-VIFPVBQESA-N
XLogP1.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 125016289
[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110104959
5-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954554
5-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954553
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124971089
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124977291
6-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 155983475
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125010402
(6-methylimidazo[1,2-a]pyridin-2-yl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105201
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
CID 124947783
[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 95847898

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone (CID 125021403) is [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone is Cc1cnc([C@@H]2CN(C(=O)c3cncs3)CCO2)[nH]1.
What is the InChIKey of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is YJKZEADPYTZJDM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8-4-14-11(15-8)9-6-16(2-3-18-9)12(17)10-5-13-7-19-10/h4-5,7,9H,2-3,6H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 278.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 125021403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).