N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide

C17H22N2O2S — CID 24715030

IUPACN-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)=CC(=O)N1CSCC1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2O2S/c1-11(2)7-16(20)19-10-22-9-15(19)17(21)18-14-6-5-12(3)13(4)8-14/h5-8,15H,9-10H2,1-4H3,(H,18,21)
InChIKeyDMJQNKFWBHYBEM-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.11
Rot. Bonds3

About N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide

N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 24715030) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID24715030
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)=CC(=O)N1CSCC1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2O2S/c1-11(2)7-16(20)19-10-22-9-15(19)17(21)18-14-6-5-12(3)13(4)8-14/h5-8,15H,9-10H2,1-4H3,(H,18,21)
InChIKeyDMJQNKFWBHYBEM-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
N-(3,4-dimethylphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 72685669
N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3398465
(4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95233132
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95568340
5-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 119255305
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119255264
3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 72693701
N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 119419740

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide (CID 24715030) is N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide is CC(C)=CC(=O)N1CSCC1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DMJQNKFWBHYBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(2)7-16(20)19-10-22-9-15(19)17(21)18-14-6-5-12(3)13(4)8-14/h5-8,15H,9-10H2,1-4H3,(H,18,21).
What are the key properties of N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide?
N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 24715030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).