3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide

C15H21N3O2S — CID 42744624

IUPAC3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(=O)N1CSCC1C(=O)NCCc1ccccn1
InChIInChI=1S/C15H21N3O2S/c1-11(2)15(20)18-10-21-9-13(18)14(19)17-8-6-12-5-3-4-7-16-12/h3-5,7,11,13H,6,8-10H2,1-2H3,(H,17,19)
InChIKeyUWJXWCPYIJREMH-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.30
Rot. Bonds5

About 3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide

3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744624) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744624
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(=O)N1CSCC1C(=O)NCCc1ccccn1
InChIInChI=1S/C15H21N3O2S/c1-11(2)15(20)18-10-21-9-13(18)14(19)17-8-6-12-5-3-4-7-16-12/h3-5,7,11,13H,6,8-10H2,1-2H3,(H,17,19)
InChIKeyUWJXWCPYIJREMH-UHFFFAOYSA-N
XLogP1.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 94821463
3-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745306
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744790
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745361
2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42749157
(3R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99805158
(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390015
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
(4S)-3-[2-(4-methylphenyl)acetyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390001
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-cyclohexyl-3-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3548815

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 42744624) is 3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide is CC(C)C(=O)N1CSCC1C(=O)NCCc1ccccn1.
What is the InChIKey of 3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UWJXWCPYIJREMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(2)15(20)18-10-21-9-13(18)14(19)17-8-6-12-5-3-4-7-16-12/h3-5,7,11,13H,6,8-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide?
3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).