1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C19H23N5O3S — CID 17120165

IUPAC1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(=O)Nc3nnc(C(C)(C)C)s3)CC2=O)cc1
InChIInChI=1S/C19H23N5O3S/c1-11(25)20-13-5-7-14(8-6-13)24-10-12(9-15(24)26)16(27)21-18-23-22-17(28-18)19(2,3)4/h5-8,12H,9-10H2,1-4H3,(H,20,25)(H,21,23,27)
InChIKeyYCFFUSVOCQCESE-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.79
Rot. Bonds4

About 1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17120165) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17120165
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(=O)Nc3nnc(C(C)(C)C)s3)CC2=O)cc1
InChIInChI=1S/C19H23N5O3S/c1-11(25)20-13-5-7-14(8-6-13)24-10-12(9-15(24)26)16(27)21-18-23-22-17(28-18)19(2,3)4/h5-8,12H,9-10H2,1-4H3,(H,20,25)(H,21,23,27)
InChIKeyYCFFUSVOCQCESE-UHFFFAOYSA-N
XLogP2.79
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497606
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7369838
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120665
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 45495950
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7425535
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 167019906
(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51720446
1-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17119982
1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17120192
1-(4-acetamidophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 17120007
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351775

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 17120165) is 1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1ccc(N2CC(C(=O)Nc3nnc(C(C)(C)C)s3)CC2=O)cc1.
What is the InChIKey of 1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YCFFUSVOCQCESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-11(25)20-13-5-7-14(8-6-13)24-10-12(9-15(24)26)16(27)21-18-23-22-17(28-18)19(2,3)4/h5-8,12H,9-10H2,1-4H3,(H,20,25)(H,21,23,27).
What are the key properties of 1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17120165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).