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

C24H31N3O3S — CID 53103577

IUPAC2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(CC(=O)NCC4CCCO4)CC3)s2)cc1
InChIInChI=1S/C24H31N3O3S/c1-16-5-7-19(8-6-16)23-26-17(2)22(31-23)24(29)27-11-9-18(10-12-27)14-21(28)25-15-20-4-3-13-30-20/h5-8,18,20H,3-4,9-15H2,1-2H3,(H,25,28)
InChIKeyWTIQPAHFSRVYPK-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.96
Rot. Bonds6

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

2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 53103577) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID53103577
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCC(CC(=O)NCC4CCCO4)CC3)s2)cc1
InChIInChI=1S/C24H31N3O3S/c1-16-5-7-19(8-6-16)23-26-17(2)22(31-23)24(29)27-11-9-18(10-12-27)14-21(28)25-15-20-4-3-13-30-20/h5-8,18,20H,3-4,9-15H2,1-2H3,(H,25,28)
InChIKeyWTIQPAHFSRVYPK-UHFFFAOYSA-N
XLogP3.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.96
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-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 53103577) is 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(-c2nc(C)c(C(=O)N3CCC(CC(=O)NCC4CCCO4)CC3)s2)cc1.
What is the InChIKey of 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WTIQPAHFSRVYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-16-5-7-19(8-6-16)23-26-17(2)22(31-23)24(29)27-11-9-18(10-12-27)14-21(28)25-15-20-4-3-13-30-20/h5-8,18,20H,3-4,9-15H2,1-2H3,(H,25,28).
What are the key properties of 2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 441.60 g/mol, XLogP of 3.96, 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-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 53103577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).