N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide

C17H18N2O3S — CID 3398465

IUPACN-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSCN2C(=O)c2ccco2)cc1C
InChIInChI=1S/C17H18N2O3S/c1-11-5-6-13(8-12(11)2)18-16(20)14-9-23-10-19(14)17(21)15-4-3-7-22-15/h3-8,14H,9-10H2,1-2H3,(H,18,20)
InChIKeyQWOMUMRMHUYICH-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.05
Rot. Bonds3

About N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide

N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 3398465) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID3398465
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CSCN2C(=O)c2ccco2)cc1C
InChIInChI=1S/C17H18N2O3S/c1-11-5-6-13(8-12(11)2)18-16(20)14-9-23-10-19(14)17(21)15-4-3-7-22-15/h3-8,14H,9-10H2,1-2H3,(H,18,20)
InChIKeyQWOMUMRMHUYICH-UHFFFAOYSA-N
XLogP3.05
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 72685669
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
(4S)-N-(2,3-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95316914
N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 24715030
(4R)-N-(3,4-dimethylphenyl)-3-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95233132
N-(3-chloro-4-methylphenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 42906629
3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 4030871
N-(3-fluoro-4-methylphenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 43008328
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 75384637
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55940765

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 3398465) is N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(NC(=O)C2CSCN2C(=O)c2ccco2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QWOMUMRMHUYICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-5-6-13(8-12(11)2)18-16(20)14-9-23-10-19(14)17(21)15-4-3-7-22-15/h3-8,14H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3398465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).