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

C17H18N2O3S — CID 4030871

IUPAC3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSCN1C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-12(13-6-3-2-4-7-13)18-16(20)14-10-23-11-19(14)17(21)15-8-5-9-22-15/h2-9,12,14H,10-11H2,1H3,(H,18,20)
InChIKeyMEHNHTWTNVDQAS-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.67
Rot. Bonds4

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

3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4030871) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4030871
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(NC(=O)C1CSCN1C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-12(13-6-3-2-4-7-13)18-16(20)14-10-23-11-19(14)17(21)15-8-5-9-22-15/h2-9,12,14H,10-11H2,1H3,(H,18,20)
InChIKeyMEHNHTWTNVDQAS-UHFFFAOYSA-N
XLogP2.67
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide (CID 4030871) is 3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide is CC(NC(=O)C1CSCN1C(=O)c1ccco1)c1ccccc1.
What is the InChIKey of 3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MEHNHTWTNVDQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12(13-6-3-2-4-7-13)18-16(20)14-10-23-11-19(14)17(21)15-8-5-9-22-15/h2-9,12,14H,10-11H2,1H3,(H,18,20).
What are the key properties of 3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide?
3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4030871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).