[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C19H24N2O2S — CID 46003164

IUPAC[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)cc(OCc2nc(C(=O)N3CCC(C)CC3)cs2)c1
InChIInChI=1S/C19H24N2O2S/c1-13-4-6-21(7-5-13)19(22)17-12-24-18(20-17)11-23-16-9-14(2)8-15(3)10-16/h8-10,12-13H,4-7,11H2,1-3H3
InChIKeyKAIAAJZDLFHKPD-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.21
Rot. Bonds4

About [2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 46003164) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is [2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID46003164
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)cc(OCc2nc(C(=O)N3CCC(C)CC3)cs2)c1
InChIInChI=1S/C19H24N2O2S/c1-13-4-6-21(7-5-13)19(22)17-12-24-18(20-17)11-23-16-9-14(2)8-15(3)10-16/h8-10,12-13H,4-7,11H2,1-3H3
InChIKeyKAIAAJZDLFHKPD-UHFFFAOYSA-N
XLogP4.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 46003164) is [2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1cc(C)cc(OCc2nc(C(=O)N3CCC(C)CC3)cs2)c1.
What is the InChIKey of [2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is KAIAAJZDLFHKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-4-6-21(7-5-13)19(22)17-12-24-18(20-17)11-23-16-9-14(2)8-15(3)10-16/h8-10,12-13H,4-7,11H2,1-3H3.
What are the key properties of [2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 344.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46003164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).