[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

C23H24N2O3S — CID 24816870

IUPAC[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CCCN(C(=O)c4sc(C)nc4C)C3)ccc2c1
InChIInChI=1S/C23H24N2O3S/c1-14-22(29-15(2)24-14)23(27)25-10-4-5-19(13-25)21(26)18-7-6-17-12-20(28-3)9-8-16(17)11-18/h6-9,11-12,19H,4-5,10,13H2,1-3H3
InChIKeyBCMFRYOYWDYQBJ-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.66
Rot. Bonds4

About [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 24816870) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
PubChem CID24816870
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CCCN(C(=O)c4sc(C)nc4C)C3)ccc2c1
InChIInChI=1S/C23H24N2O3S/c1-14-22(29-15(2)24-14)23(27)25-10-4-5-19(13-25)21(26)18-7-6-17-12-20(28-3)9-8-16(17)11-18/h6-9,11-12,19H,4-5,10,13H2,1-3H3
InChIKeyBCMFRYOYWDYQBJ-UHFFFAOYSA-N
XLogP4.66
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (CID 24816870) is [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)C3CCCN(C(=O)c4sc(C)nc4C)C3)ccc2c1.
What is the InChIKey of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is BCMFRYOYWDYQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-14-22(29-15(2)24-14)23(27)25-10-4-5-19(13-25)21(26)18-7-6-17-12-20(28-3)9-8-16(17)11-18/h6-9,11-12,19H,4-5,10,13H2,1-3H3.
What are the key properties of [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 408.52 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 24816870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).