[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone

C22H22N2O2S — CID 24791418

IUPAC[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCc1nc(C)c(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)s1
InChIInChI=1S/C22H22N2O2S/c1-14-21(27-15(2)23-14)22(26)24-11-5-8-19(13-24)20(25)18-10-9-16-6-3-4-7-17(16)12-18/h3-4,6-7,9-10,12,19H,5,8,11,13H2,1-2H3
InChIKeyHRKZJFHVUPFAFJ-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.65
Rot. Bonds3

About [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone

[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 24791418) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
PubChem CID24791418
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCc1nc(C)c(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)s1
InChIInChI=1S/C22H22N2O2S/c1-14-21(27-15(2)23-14)22(26)24-11-5-8-19(13-24)20(25)18-10-9-16-6-3-4-7-17(16)12-18/h3-4,6-7,9-10,12,19H,5,8,11,13H2,1-2H3
InChIKeyHRKZJFHVUPFAFJ-UHFFFAOYSA-N
XLogP4.65
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone (CID 24791418) is [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone is Cc1nc(C)c(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)s1.
What is the InChIKey of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is HRKZJFHVUPFAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-14-21(27-15(2)23-14)22(26)24-11-5-8-19(13-24)20(25)18-10-9-16-6-3-4-7-17(16)12-18/h3-4,6-7,9-10,12,19H,5,8,11,13H2,1-2H3.
What are the key properties of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 378.50 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 24791418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).