N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide

C16H20N2O2S — CID 119273983

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)C1CSCN1
InChIInChI=1S/C16H20N2O2S/c1-3-14-12(11-6-4-5-7-15(11)20-14)8-18(2)16(19)13-9-21-10-17-13/h4-7,13,17H,3,8-10H2,1-2H3
InChIKeyGWCHUGNSOBHFSR-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.62
Rot. Bonds4

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

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 119273983) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID119273983
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)C1CSCN1
InChIInChI=1S/C16H20N2O2S/c1-3-14-12(11-6-4-5-7-15(11)20-14)8-18(2)16(19)13-9-21-10-17-13/h4-7,13,17H,3,8-10H2,1-2H3
InChIKeyGWCHUGNSOBHFSR-UHFFFAOYSA-N
XLogP2.62
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide (CID 119273983) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide is CCc1oc2ccccc2c1CN(C)C(=O)C1CSCN1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is GWCHUGNSOBHFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-14-12(11-6-4-5-7-15(11)20-14)8-18(2)16(19)13-9-21-10-17-13/h4-7,13,17H,3,8-10H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119273983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).