N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

C19H30N4O3S — CID 171910622

IUPACN-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOC1CCN(C(=O)C[C@H]2CC[C@@H](CNC(=O)c3csc(C)n3)N2C)CC1
InChIInChI=1S/C19H30N4O3S/c1-13-21-17(12-27-13)19(25)20-11-15-5-4-14(22(15)2)10-18(24)23-8-6-16(26-3)7-9-23/h12,14-16H,4-11H2,1-3H3,(H,20,25)/t14-,15+/m1/s1
InChIKeyLTGDDQBPSVZCIH-CABCVRRESA-N
MW394.54 g/mol
LogP1.67
Rot. Bonds6

About N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 171910622) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID171910622
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC NameN-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOC1CCN(C(=O)C[C@H]2CC[C@@H](CNC(=O)c3csc(C)n3)N2C)CC1
InChIInChI=1S/C19H30N4O3S/c1-13-21-17(12-27-13)19(25)20-11-15-5-4-14(22(15)2)10-18(24)23-8-6-16(26-3)7-9-23/h12,14-16H,4-11H2,1-3H3,(H,20,25)/t14-,15+/m1/s1
InChIKeyLTGDDQBPSVZCIH-CABCVRRESA-N
XLogP1.67
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
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N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
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N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
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1-(4-methoxypiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
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1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide
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2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 171910622) is N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is COC1CCN(C(=O)C[C@H]2CC[C@@H](CNC(=O)c3csc(C)n3)N2C)CC1.
What is the InChIKey of N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is LTGDDQBPSVZCIH-CABCVRRESA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-13-21-17(12-27-13)19(25)20-11-15-5-4-14(22(15)2)10-18(24)23-8-6-16(26-3)7-9-23/h12,14-16H,4-11H2,1-3H3,(H,20,25)/t14-,15+/m1/s1.
What are the key properties of N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-5-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171910622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).