N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

C23H33N3OS — CID 56535509

IUPACN-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCCCCN(C(=O)c1cnc(-c2ccccc2)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H33N3OS/c1-6-7-13-26(18-14-22(2,3)25-23(4,5)15-18)21(27)19-16-24-20(28-19)17-11-9-8-10-12-17/h8-12,16,18,25H,6-7,13-15H2,1-5H3
InChIKeySFJWHCABCFRXMJ-UHFFFAOYSA-N
MW399.60 g/mol
LogP5.36
Rot. Bonds6

About N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 56535509) has the molecular formula C23H33N3OS and a molecular weight of 399.60 g/mol. Its IUPAC name is N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID56535509
Molecular FormulaC23H33N3OS
Molecular Weight399.60 g/mol
Exact Mass399.23
IUPAC NameN-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCCCCN(C(=O)c1cnc(-c2ccccc2)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H33N3OS/c1-6-7-13-26(18-14-22(2,3)25-23(4,5)15-18)21(27)19-16-24-20(28-19)17-11-9-8-10-12-17/h8-12,16,18,25H,6-7,13-15H2,1-5H3
InChIKeySFJWHCABCFRXMJ-UHFFFAOYSA-N
XLogP5.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (CID 56535509) is N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is CCCCN(C(=O)c1cnc(-c2ccccc2)s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is SFJWHCABCFRXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3OS/c1-6-7-13-26(18-14-22(2,3)25-23(4,5)15-18)21(27)19-16-24-20(28-19)17-11-9-8-10-12-17/h8-12,16,18,25H,6-7,13-15H2,1-5H3.
What are the key properties of N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 399.60 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56535509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).