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

C17H18N4O3S — CID 138043771

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3CCC(=O)N3C)n2)cc1
InChIInChI=1S/C17H18N4O3S/c1-10(22)18-12-5-3-11(4-6-12)13-9-25-17(19-13)20-16(24)14-7-8-15(23)21(14)2/h3-6,9,14H,7-8H2,1-2H3,(H,18,22)(H,19,20,24)
InChIKeyAJZNJUITOYPMOR-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.33
Rot. Bonds4

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

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 138043771) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID138043771
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3CCC(=O)N3C)n2)cc1
InChIInChI=1S/C17H18N4O3S/c1-10(22)18-12-5-3-11(4-6-12)13-9-25-17(19-13)20-16(24)14-7-8-15(23)21(14)2/h3-6,9,14H,7-8H2,1-2H3,(H,18,22)(H,19,20,24)
InChIKeyAJZNJUITOYPMOR-UHFFFAOYSA-N
XLogP2.33
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687377
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119676258
(2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 46843809
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide
CID 167822050
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide
CID 138034476
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261910
N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687375
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31824270
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide
CID 51200440
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide
CID 120783216

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 138043771) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCC(=O)N3C)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AJZNJUITOYPMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-10(22)18-12-5-3-11(4-6-12)13-9-25-17(19-13)20-16(24)14-7-8-15(23)21(14)2/h3-6,9,14H,7-8H2,1-2H3,(H,18,22)(H,19,20,24).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 138043771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).