2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C20H27N3O2S — CID 17490161

IUPAC2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cs2)cc1
InChIInChI=1S/C20H27N3O2S/c1-19(2)10-14(11-20(3,4)23-19)21-17(24)16-12-26-18(22-16)13-6-8-15(25-5)9-7-13/h6-9,12,14,23H,10-11H2,1-5H3,(H,21,24)
InChIKeyIOGIGGQWARIUJU-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.86
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 17490161) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID17490161
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cs2)cc1
InChIInChI=1S/C20H27N3O2S/c1-19(2)10-14(11-20(3,4)23-19)21-17(24)16-12-26-18(22-16)13-6-8-15(25-5)9-7-13/h6-9,12,14,23H,10-11H2,1-5H3,(H,21,24)
InChIKeyIOGIGGQWARIUJU-UHFFFAOYSA-N
XLogP3.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 17490161) is 2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is IOGIGGQWARIUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-19(2)10-14(11-20(3,4)23-19)21-17(24)16-12-26-18(22-16)13-6-8-15(25-5)9-7-13/h6-9,12,14,23H,10-11H2,1-5H3,(H,21,24).
What are the key properties of 2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17490161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).