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

C15H23N3O3S — CID 126430930

IUPAC(3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)[C@H]2CC(=O)N(C)C2(C)C)s1
InChIInChI=1S/C15H23N3O3S/c1-9-11(22-12(17-9)8-21-5)7-16-14(20)10-6-13(19)18(4)15(10,2)3/h10H,6-8H2,1-5H3,(H,16,20)/t10-/m1/s1
InChIKeyMXHCEUSRTHZDKW-SNVBAGLBSA-N
MW325.43 g/mol
LogP1.47
Rot. Bonds5

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

(3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 126430930) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID126430930
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCc1nc(C)c(CNC(=O)[C@H]2CC(=O)N(C)C2(C)C)s1
InChIInChI=1S/C15H23N3O3S/c1-9-11(22-12(17-9)8-21-5)7-16-14(20)10-6-13(19)18(4)15(10,2)3/h10H,6-8H2,1-5H3,(H,16,20)/t10-/m1/s1
InChIKeyMXHCEUSRTHZDKW-SNVBAGLBSA-N
XLogP1.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 126450586
N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-piperidin-1-ylpropanamide
CID 119074373
(3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 126439980
N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide
CID 122559597
N-cyclopropyl-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110374533
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 72879635
2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91780378
6-fluoro-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 91780401
5-ethyl-2-(methoxymethyl)-4-methyl-1,3-thiazole
CID 129301399
(3S)-1,2,2-trimethyl-5-oxo-N-[3-(2H-tetrazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 126439441
2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 110374554
2-ethoxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]pyridine-3-carboxamide
CID 91764651

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide (CID 126430930) is (3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide is COCc1nc(C)c(CNC(=O)[C@H]2CC(=O)N(C)C2(C)C)s1.
What is the InChIKey of (3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MXHCEUSRTHZDKW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-9-11(22-12(17-9)8-21-5)7-16-14(20)10-6-13(19)18(4)15(10,2)3/h10H,6-8H2,1-5H3,(H,16,20)/t10-/m1/s1.
What are the key properties of (3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2,2-trimethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126430930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).