3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide

C17H17N3O3S — CID 8541420

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCN3C(=O)CCC3=O)cc2)cs1
InChIInChI=1S/C17H17N3O3S/c1-11-18-14(10-24-11)12-2-4-13(5-3-12)19-15(21)8-9-20-16(22)6-7-17(20)23/h2-5,10H,6-9H2,1H3,(H,19,21)
InChIKeySKVMPVXSLREBRK-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.60
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 8541420) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID8541420
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCN3C(=O)CCC3=O)cc2)cs1
InChIInChI=1S/C17H17N3O3S/c1-11-18-14(10-24-11)12-2-4-13(5-3-12)19-15(21)8-9-20-16(22)6-7-17(20)23/h2-5,10H,6-9H2,1H3,(H,19,21)
InChIKeySKVMPVXSLREBRK-UHFFFAOYSA-N
XLogP2.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.60
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

3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 8534304
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51255004
2-(2,6-dioxo-4-phenylpiperidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 46970977
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 18120397
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
CID 18089660
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
2,2-dimethyl-N-[4-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-4-oxobutyl]propanamide
CID 32757711
3-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286611

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 8541420) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is Cc1nc(-c2ccc(NC(=O)CCN3C(=O)CCC3=O)cc2)cs1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is SKVMPVXSLREBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-18-14(10-24-11)12-2-4-13(5-3-12)19-15(21)8-9-20-16(22)6-7-17(20)23/h2-5,10H,6-9H2,1H3,(H,19,21).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 343.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 8541420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).