3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide

C22H33N3O2S — CID 86891362

IUPAC3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESCCN1CCC(NC(=O)C2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C22H33N3O2S/c1-5-24-12-10-18(11-13-24)23-20(26)19-14-28-15-25(19)21(27)16-6-8-17(9-7-16)22(2,3)4/h6-9,18-19H,5,10-15H2,1-4H3,(H,23,26)
InChIKeySTSRNAVPYZVXBV-UHFFFAOYSA-N
MW403.59 g/mol
LogP3.10
Rot. Bonds4

About 3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide

3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 86891362) has the molecular formula C22H33N3O2S and a molecular weight of 403.59 g/mol. Its IUPAC name is 3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID86891362
Molecular FormulaC22H33N3O2S
Molecular Weight403.59 g/mol
Exact Mass403.23
IUPAC Name3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESCCN1CCC(NC(=O)C2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C22H33N3O2S/c1-5-24-12-10-18(11-13-24)23-20(26)19-14-28-15-25(19)21(27)16-6-8-17(9-7-16)22(2,3)4/h6-9,18-19H,5,10-15H2,1-4H3,(H,23,26)
InChIKeySTSRNAVPYZVXBV-UHFFFAOYSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide (CID 86891362) is 3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide is CCN1CCC(NC(=O)C2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is STSRNAVPYZVXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2S/c1-5-24-12-10-18(11-13-24)23-20(26)19-14-28-15-25(19)21(27)16-6-8-17(9-7-16)22(2,3)4/h6-9,18-19H,5,10-15H2,1-4H3,(H,23,26).
What are the key properties of 3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide?
3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 403.59 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylbenzoyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 86891362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).