3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide

C13H16N2O2S — CID 42744636

IUPAC3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSCC1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H16N2O2S/c1-9-3-5-11(6-4-9)14-13(17)12-7-18-8-15(12)10(2)16/h3-6,12H,7-8H2,1-2H3,(H,14,17)
InChIKeySVGVUDPZSAYJKZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.85
Rot. Bonds2

About 3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide

3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744636) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744636
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSCC1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H16N2O2S/c1-9-3-5-11(6-4-9)14-13(17)12-7-18-8-15(12)10(2)16/h3-6,12H,7-8H2,1-2H3,(H,14,17)
InChIKeySVGVUDPZSAYJKZ-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 56785175
tert-butyl (4S)-4-[(4-bromophenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564439
N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 24715030
(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 94783798
(4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95296252
tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564467
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95156736

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide (CID 42744636) is 3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide is CC(=O)N1CSCC1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SVGVUDPZSAYJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-3-5-11(6-4-9)14-13(17)12-7-18-8-15(12)10(2)16/h3-6,12H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).