3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

C17H20N2O3S — CID 71979463

IUPAC3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C(=O)N1CSCC1C(=O)N(C)C)c1cc2ccccc2o1
InChIInChI=1S/C17H20N2O3S/c1-11(15-8-12-6-4-5-7-14(12)22-15)16(20)19-10-23-9-13(19)17(21)18(2)3/h4-8,11,13H,9-10H2,1-3H3
InChIKeyMEKYBEMUZWMIEE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.53
Rot. Bonds3

About 3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 71979463) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID71979463
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C(=O)N1CSCC1C(=O)N(C)C)c1cc2ccccc2o1
InChIInChI=1S/C17H20N2O3S/c1-11(15-8-12-6-4-5-7-14(12)22-15)16(20)19-10-23-9-13(19)17(21)18(2)3/h4-8,11,13H,9-10H2,1-3H3
InChIKeyMEKYBEMUZWMIEE-UHFFFAOYSA-N
XLogP2.53
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119436109
2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471792
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119518879
3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43097182
2-(1-benzofuran-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119578543
(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95174309
3-[3-(furan-3-yl)benzoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 75434211
(3R,7aR)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 100633625
(4S)-3-(isoquinoline-1-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 95282188
2-(1-benzofuran-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120879558
N,N-dimethyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 136518419
N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
CID 119476753

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (CID 71979463) is 3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is CC(C(=O)N1CSCC1C(=O)N(C)C)c1cc2ccccc2o1.
What is the InChIKey of 3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is MEKYBEMUZWMIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11(15-8-12-6-4-5-7-14(12)22-15)16(20)19-10-23-9-13(19)17(21)18(2)3/h4-8,11,13H,9-10H2,1-3H3.
What are the key properties of 3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 71979463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).