[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone

C15H18N4O2S — CID 95847898

IUPAC[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESCN(C)c1ccc([C@H]2CN(C(=O)c3cncs3)CCO2)nc1
InChIInChI=1S/C15H18N4O2S/c1-18(2)11-3-4-12(17-7-11)13-9-19(5-6-21-13)15(20)14-8-16-10-22-14/h3-4,7-8,10,13H,5-6,9H2,1-2H3/t13-/m1/s1
InChIKeyRKIQNOLQCRTIEL-CYBMUJFWSA-N
MW318.40 g/mol
LogP1.82
Rot. Bonds3

About [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone

[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 95847898) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID95847898
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
SMILESCN(C)c1ccc([C@H]2CN(C(=O)c3cncs3)CCO2)nc1
InChIInChI=1S/C15H18N4O2S/c1-18(2)11-3-4-12(17-7-11)13-9-19(5-6-21-13)15(20)14-8-16-10-22-14/h3-4,7-8,10,13H,5-6,9H2,1-2H3/t13-/m1/s1
InChIKeyRKIQNOLQCRTIEL-CYBMUJFWSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124977291
[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 95847868
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125021403
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124971089
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 110364184
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 124997234
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125009167
[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110272030
N,N-dimethyl-6-[(2R)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyridin-3-amine
CID 95847906
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 125016784
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 125008999
[(2S)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 124992366

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone (CID 95847898) is [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone is CN(C)c1ccc([C@H]2CN(C(=O)c3cncs3)CCO2)nc1.
What is the InChIKey of [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is RKIQNOLQCRTIEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-18(2)11-3-4-12(17-7-11)13-9-19(5-6-21-13)15(20)14-8-16-10-22-14/h3-4,7-8,10,13H,5-6,9H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone?
[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 318.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 95847898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).