2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide

C18H25N3O2S — CID 42749157

IUPAC2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)NCCc2ccccn2)N1C(=O)C=C(C)C
InChIInChI=1S/C18H25N3O2S/c1-4-17-21(16(22)11-13(2)3)15(12-24-17)18(23)20-10-8-14-7-5-6-9-19-14/h5-7,9,11,15,17H,4,8,10,12H2,1-3H3,(H,20,23)
InChIKeyPORQEBXVJXZGLS-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.39
Rot. Bonds6

About 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide

2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42749157) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42749157
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC1SCC(C(=O)NCCc2ccccn2)N1C(=O)C=C(C)C
InChIInChI=1S/C18H25N3O2S/c1-4-17-21(16(22)11-13(2)3)15(12-24-17)18(23)20-10-8-14-7-5-6-9-19-14/h5-7,9,11,15,17H,4,8,10,12H2,1-3H3,(H,20,23)
InChIKeyPORQEBXVJXZGLS-UHFFFAOYSA-N
XLogP2.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.39
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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Related Compounds

2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42749149
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745361
3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744624
2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3548815
N-butyl-3-(3-methylbut-2-enoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745347
tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 94821463
3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3432560
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
(3R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99805158
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66265963
3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744854

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 42749157) is 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide is CCC1SCC(C(=O)NCCc2ccccn2)N1C(=O)C=C(C)C.
What is the InChIKey of 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is PORQEBXVJXZGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-17-21(16(22)11-13(2)3)15(12-24-17)18(23)20-10-8-14-7-5-6-9-19-14/h5-7,9,11,15,17H,4,8,10,12H2,1-3H3,(H,20,23).
What are the key properties of 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42749157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).