5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one

C16H27N3OS — CID 138377860

IUPAC5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCc1ncsc1CCN(C)CC1CCC(=O)N(C(C)C)C1
InChIInChI=1S/C16H27N3OS/c1-12(2)19-10-14(5-6-16(19)20)9-18(4)8-7-15-13(3)17-11-21-15/h11-12,14H,5-10H2,1-4H3
InChIKeyZJVMFXTUMVXJIN-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.57
Rot. Bonds6

About 5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one

5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one (PubChem CID 138377860) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
PubChem CID138377860
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCc1ncsc1CCN(C)CC1CCC(=O)N(C(C)C)C1
InChIInChI=1S/C16H27N3OS/c1-12(2)19-10-14(5-6-16(19)20)9-18(4)8-7-15-13(3)17-11-21-15/h11-12,14H,5-10H2,1-4H3
InChIKeyZJVMFXTUMVXJIN-UHFFFAOYSA-N
XLogP2.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one with MolForge

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Related Compounds

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 56911022
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
5-[[3-methoxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 139598790
5-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138809375
4-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]butan-2-ol
CID 115665735
5-[[[2-ethyl-2-(hydroxymethyl)butyl]-methylamino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138807862
2-methyl-1-[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 129400908
5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138377763
1-[(3R)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 100733850
5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138380122
1-[3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-methylsulfanylbutan-1-one
CID 128997032
(3R)-1-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-methylsulfanylbutan-1-one
CID 129400934

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one (CID 138377860) is 5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one is Cc1ncsc1CCN(C)CC1CCC(=O)N(C(C)C)C1.
What is the InChIKey of 5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is ZJVMFXTUMVXJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-12(2)19-10-14(5-6-16(19)20)9-18(4)8-7-15-13(3)17-11-21-15/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one?
5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 309.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 138377860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).