N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide

C17H22N2O3S — CID 132969961

IUPACN-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC/C=C(\C)C(=O)N1CSCC1C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H22N2O3S/c1-4-7-12(2)17(21)19-11-23-10-14(19)16(20)18-13-8-5-6-9-15(13)22-3/h5-9,14H,4,10-11H2,1-3H3,(H,18,20)/b12-7+
InChIKeyDTRYIRJVYMRBOP-KPKJPENVSA-N
MW334.44 g/mol
LogP2.89
Rot. Bonds5

About N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide

N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 132969961) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID132969961
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide
SMILESCC/C=C(\C)C(=O)N1CSCC1C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H22N2O3S/c1-4-7-12(2)17(21)19-11-23-10-14(19)16(20)18-13-8-5-6-9-15(13)22-3/h5-9,14H,4,10-11H2,1-3H3,(H,18,20)/b12-7+
InChIKeyDTRYIRJVYMRBOP-KPKJPENVSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide (CID 132969961) is N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide is CC/C=C(\C)C(=O)N1CSCC1C(=O)Nc1ccccc1OC.
What is the InChIKey of N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is DTRYIRJVYMRBOP-KPKJPENVSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-4-7-12(2)17(21)19-11-23-10-14(19)16(20)18-13-8-5-6-9-15(13)22-3/h5-9,14H,4,10-11H2,1-3H3,(H,18,20)/b12-7+.
What are the key properties of N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide?
N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 132969961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).