[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone

C18H23N3O2S — CID 84594508

IUPAC[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1ncc(C(=O)N2CCCC(Cc3ccccc3OC)C2)s1
InChIInChI=1S/C18H23N3O2S/c1-19-18-20-11-16(24-18)17(22)21-9-5-6-13(12-21)10-14-7-3-4-8-15(14)23-2/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyCJMFYWWUUBXPCM-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.29
Rot. Bonds5

About [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone

[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 84594508) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone
PubChem CID84594508
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1ncc(C(=O)N2CCCC(Cc3ccccc3OC)C2)s1
InChIInChI=1S/C18H23N3O2S/c1-19-18-20-11-16(24-18)17(22)21-9-5-6-13(12-21)10-14-7-3-4-8-15(14)23-2/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,19,20)
InChIKeyCJMFYWWUUBXPCM-UHFFFAOYSA-N
XLogP3.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone (CID 84594508) is [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone is CNc1ncc(C(=O)N2CCCC(Cc3ccccc3OC)C2)s1.
What is the InChIKey of [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is CJMFYWWUUBXPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-19-18-20-11-16(24-18)17(22)21-9-5-6-13(12-21)10-14-7-3-4-8-15(14)23-2/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 84594508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).