2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

C19H21N3O3S — CID 17360018

IUPAC2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCC(C)C(C)N1C(=O)c2ccc(C(=O)Nc3ncc(C)s3)cc2C1=O
InChIInChI=1S/C19H21N3O3S/c1-5-10(2)12(4)22-17(24)14-7-6-13(8-15(14)18(22)25)16(23)21-19-20-9-11(3)26-19/h6-10,12H,5H2,1-4H3,(H,20,21,23)
InChIKeySVQPQHLRVVMUOM-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.73
Rot. Bonds5

About 2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17360018) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID17360018
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCC(C)C(C)N1C(=O)c2ccc(C(=O)Nc3ncc(C)s3)cc2C1=O
InChIInChI=1S/C19H21N3O3S/c1-5-10(2)12(4)22-17(24)14-7-6-13(8-15(14)18(22)25)16(23)21-19-20-9-11(3)26-19/h6-10,12H,5H2,1-4H3,(H,20,21,23)
InChIKeySVQPQHLRVVMUOM-UHFFFAOYSA-N
XLogP3.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 2231784
2-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 39038043
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61090016
4-(ethylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63210150
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
3,5-diethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 59736022
4-(ethylamino)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 62165674
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide
CID 17296231
N-(5-methyl-1,3-thiazol-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 55042843
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-(propylamino)benzamide
CID 63210151
4-hydrazinyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63211746

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (CID 17360018) is 2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is CCC(C)C(C)N1C(=O)c2ccc(C(=O)Nc3ncc(C)s3)cc2C1=O.
What is the InChIKey of 2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is SVQPQHLRVVMUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-5-10(2)12(4)22-17(24)14-7-6-13(8-15(14)18(22)25)16(23)21-19-20-9-11(3)26-19/h6-10,12H,5H2,1-4H3,(H,20,21,23).
What are the key properties of 2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17360018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).