(3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C13H19N3O3S — CID 126450586

IUPAC(3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)[C@@H]2CC(=O)N(C)C2)s1
InChIInChI=1S/C13H19N3O3S/c1-8-10(20-11(15-8)7-19-3)5-14-13(18)9-4-12(17)16(2)6-9/h9H,4-7H2,1-3H3,(H,14,18)/t9-/m1/s1
InChIKeyIXZNGXXJVMYERX-SECBINFHSA-N
MW297.38 g/mol
LogP0.69
Rot. Bonds5

About (3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 126450586) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID126450586
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)[C@@H]2CC(=O)N(C)C2)s1
InChIInChI=1S/C13H19N3O3S/c1-8-10(20-11(15-8)7-19-3)5-14-13(18)9-4-12(17)16(2)6-9/h9H,4-7H2,1-3H3,(H,14,18)/t9-/m1/s1
InChIKeyIXZNGXXJVMYERX-SECBINFHSA-N
XLogP0.69
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide
CID 126430930
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155503880
N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-piperidin-1-ylpropanamide
CID 119074373
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide;formic acid
CID 155938580
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 72879635
N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 79676055
1-(3-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 71795486
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95135842
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 121123213
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclobutanecarboxamide
CID 121122773
4-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525988

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 126450586) is (3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is COCc1nc(C)c(CNC(=O)[C@@H]2CC(=O)N(C)C2)s1.
What is the InChIKey of (3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IXZNGXXJVMYERX-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-10(20-11(15-8)7-19-3)5-14-13(18)9-4-12(17)16(2)6-9/h9H,4-7H2,1-3H3,(H,14,18)/t9-/m1/s1.
What are the key properties of (3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126450586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).