1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone

C14H21N3O2S — CID 63168028

IUPAC1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CCC(N3CCOCC3)C2)nc1C
InChIInChI=1S/C14H21N3O2S/c1-10-13(11(2)18)20-14(15-10)17-4-3-12(9-17)16-5-7-19-8-6-16/h12H,3-9H2,1-2H3
InChIKeyCIGPXPAUILXNNU-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.57
Rot. Bonds3

About 1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 63168028) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID63168028
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CCC(N3CCOCC3)C2)nc1C
InChIInChI=1S/C14H21N3O2S/c1-10-13(11(2)18)20-14(15-10)17-4-3-12(9-17)16-5-7-19-8-6-16/h12H,3-9H2,1-2H3
InChIKeyCIGPXPAUILXNNU-UHFFFAOYSA-N
XLogP1.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 79937420
1-[2-(4-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750988
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 115562385
4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900508
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol
CID 64543603
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170469
1-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 118673394
1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 65286872
4-[1-(4-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900775
1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile
CID 155491481
2-(3-morpholin-4-ylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 63168513
4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 157011581

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone (CID 63168028) is 1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N2CCC(N3CCOCC3)C2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is CIGPXPAUILXNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-13(11(2)18)20-14(15-10)17-4-3-12(9-17)16-5-7-19-8-6-16/h12H,3-9H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 295.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 63168028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).