2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide

C23H29N3O3S — CID 53103647

IUPAC2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C23H29N3O3S/c1-16-21(30-22(25-16)18-6-3-2-4-7-18)23(28)26-11-9-17(10-12-26)14-20(27)24-15-19-8-5-13-29-19/h2-4,6-7,17,19H,5,8-15H2,1H3,(H,24,27)
InChIKeyLVSUGKDVYIBEDE-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.66
Rot. Bonds6

About 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 53103647) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID53103647
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C23H29N3O3S/c1-16-21(30-22(25-16)18-6-3-2-4-7-18)23(28)26-11-9-17(10-12-26)14-20(27)24-15-19-8-5-13-29-19/h2-4,6-7,17,19H,5,8-15H2,1H3,(H,24,27)
InChIKeyLVSUGKDVYIBEDE-UHFFFAOYSA-N
XLogP3.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 53103647) is 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide is Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)NCC2CCCO2)CC1.
What is the InChIKey of 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is LVSUGKDVYIBEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-16-21(30-22(25-16)18-6-3-2-4-7-18)23(28)26-11-9-17(10-12-26)14-20(27)24-15-19-8-5-13-29-19/h2-4,6-7,17,19H,5,8-15H2,1H3,(H,24,27).
What are the key properties of 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 427.57 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 53103647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).