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

C21H20N2O2S — CID 24793198

IUPAC[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCc1ncsc1C(=O)N1CCCC(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H20N2O2S/c1-14-20(26-13-22-14)21(25)23-10-4-7-18(12-23)19(24)17-9-8-15-5-2-3-6-16(15)11-17/h2-3,5-6,8-9,11,13,18H,4,7,10,12H2,1H3
InChIKeyHDJSSVRZKVZBLT-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.34
Rot. Bonds3

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

[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 24793198) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is [1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
PubChem CID24793198
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
SMILESCc1ncsc1C(=O)N1CCCC(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H20N2O2S/c1-14-20(26-13-22-14)21(25)23-10-4-7-18(12-23)19(24)17-9-8-15-5-2-3-6-16(15)11-17/h2-3,5-6,8-9,11,13,18H,4,7,10,12H2,1H3
InChIKeyHDJSSVRZKVZBLT-UHFFFAOYSA-N
XLogP4.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone (CID 24793198) is [1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone is Cc1ncsc1C(=O)N1CCCC(C(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of [1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is HDJSSVRZKVZBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14-20(26-13-22-14)21(25)23-10-4-7-18(12-23)19(24)17-9-8-15-5-2-3-6-16(15)11-17/h2-3,5-6,8-9,11,13,18H,4,7,10,12H2,1H3.
What are the key properties of [1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone?
[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 364.47 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 24793198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).