(2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide

C17H19N3O2S — CID 138019891

IUPAC(2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCc1cc(NC(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)sn1
InChIInChI=1S/C17H19N3O2S/c1-10(2)15(16(21)18-14-8-11(3)19-23-14)20-9-12-6-4-5-7-13(12)17(20)22/h4-8,10,15H,9H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyNMXIYENSBPZDOJ-OAHLLOKOSA-N
MW329.43 g/mol
LogP3.07
Rot. Bonds4

About (2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide

(2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide (PubChem CID 138019891) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide
PubChem CID138019891
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCc1cc(NC(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)sn1
InChIInChI=1S/C17H19N3O2S/c1-10(2)15(16(21)18-14-8-11(3)19-23-14)20-9-12-6-4-5-7-13(12)17(20)22/h4-8,10,15H,9H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyNMXIYENSBPZDOJ-OAHLLOKOSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide with MolForge

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Related Compounds

(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide
CID 29131248
(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688661
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(3-propanoylphenyl)butanamide
CID 146107614
(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 29132743
(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 129490780
ethyl 2-[2-[[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 29135372
(2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 138017545
3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 20905682
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide
CID 71829770
N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906050
2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one
CID 20905674
2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 4178065

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The IUPAC name of (2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide (CID 138019891) is (2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide.
What is the SMILES notation for (2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The canonical SMILES for (2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide is Cc1cc(NC(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)sn1.
What is the InChIKey of (2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The InChIKey is NMXIYENSBPZDOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10(2)15(16(21)18-14-8-11(3)19-23-14)20-9-12-6-4-5-7-13(12)17(20)22/h4-8,10,15H,9H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide?
(2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide has a molecular weight of 329.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide is sourced from PubChem (CID 138019891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).