[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

C17H20N2O2S — CID 1472641

IUPAC[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Cc2nc(C(=O)N3CCCCC3)cs2)cc1
InChIInChI=1S/C17H20N2O2S/c1-21-14-7-5-13(6-8-14)11-16-18-15(12-22-16)17(20)19-9-3-2-4-10-19/h5-8,12H,2-4,9-11H2,1H3
InChIKeyJMXBBOCUZWHQTD-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.37
Rot. Bonds4

About [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 1472641) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID1472641
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Cc2nc(C(=O)N3CCCCC3)cs2)cc1
InChIInChI=1S/C17H20N2O2S/c1-21-14-7-5-13(6-8-14)11-16-18-15(12-22-16)17(20)19-9-3-2-4-10-19/h5-8,12H,2-4,9-11H2,1H3
InChIKeyJMXBBOCUZWHQTD-UHFFFAOYSA-N
XLogP3.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 1472641) is [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is COc1ccc(Cc2nc(C(=O)N3CCCCC3)cs2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is JMXBBOCUZWHQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-21-14-7-5-13(6-8-14)11-16-18-15(12-22-16)17(20)19-9-3-2-4-10-19/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 316.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1472641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).