2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C20H16N4O3S — CID 46513636

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)sc1-c1ccccn1
InChIInChI=1S/C20H16N4O3S/c1-11-16(15-9-5-6-10-21-15)28-20(22-11)23-17(25)12(2)24-18(26)13-7-3-4-8-14(13)19(24)27/h3-10,12H,1-2H3,(H,22,23,25)
InChIKeyUKWIJMKLZFGXHL-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.14
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 46513636) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID46513636
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)sc1-c1ccccn1
InChIInChI=1S/C20H16N4O3S/c1-11-16(15-9-5-6-10-21-15)28-20(22-11)23-17(25)12(2)24-18(26)13-7-3-4-8-14(13)19(24)27/h3-10,12H,1-2H3,(H,22,23,25)
InChIKeyUKWIJMKLZFGXHL-UHFFFAOYSA-N
XLogP3.14
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
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2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
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6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 31519632
2-(1,3-dioxoisoindol-2-yl)-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108763094
4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154800
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 46513636) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is Cc1nc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)sc1-c1ccccn1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is UKWIJMKLZFGXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-11-16(15-9-5-6-10-21-15)28-20(22-11)23-17(25)12(2)24-18(26)13-7-3-4-8-14(13)19(24)27/h3-10,12H,1-2H3,(H,22,23,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 392.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 46513636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).