(4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide

C18H20N2O3S — CID 95298062

IUPAC(4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C)o2)c(C)c1
InChIInChI=1S/C18H20N2O3S/c1-11-4-6-14(12(2)8-11)19-17(21)15-9-24-10-20(15)18(22)16-7-5-13(3)23-16/h4-8,15H,9-10H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyZKNJFRCOGWARRB-OAHLLOKOSA-N
MW344.44 g/mol
LogP3.36
Rot. Bonds3

About (4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95298062) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95298062
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C)o2)c(C)c1
InChIInChI=1S/C18H20N2O3S/c1-11-4-6-14(12(2)8-11)19-17(21)15-9-24-10-20(15)18(22)16-7-5-13(3)23-16/h4-8,15H,9-10H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyZKNJFRCOGWARRB-OAHLLOKOSA-N
XLogP3.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95340180
(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95326752
(4S)-N-(2,3-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95316914
N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3398465
(4R)-3-(4-ethoxybenzoyl)-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97312987
(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95317689
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 171152501
(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 97315914
(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95303764
N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 122131672

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95298062) is (4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(C)o2)c(C)c1.
What is the InChIKey of (4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZKNJFRCOGWARRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-4-6-14(12(2)8-11)19-17(21)15-9-24-10-20(15)18(22)16-7-5-13(3)23-16/h4-8,15H,9-10H2,1-3H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95298062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).