[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone

C20H27N3O2S — CID 70783164

IUPAC[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(OCC2CCCN(C(=O)c3csc(CN(C)C)n3)C2)cc1
InChIInChI=1S/C20H27N3O2S/c1-15-6-8-17(9-7-15)25-13-16-5-4-10-23(11-16)20(24)18-14-26-19(21-18)12-22(2)3/h6-9,14,16H,4-5,10-13H2,1-3H3
InChIKeyDGMFGRMAGHWIQB-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.44
Rot. Bonds6

About [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone

[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 70783164) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
PubChem CID70783164
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(OCC2CCCN(C(=O)c3csc(CN(C)C)n3)C2)cc1
InChIInChI=1S/C20H27N3O2S/c1-15-6-8-17(9-7-15)25-13-16-5-4-10-23(11-16)20(24)18-14-26-19(21-18)12-22(2)3/h6-9,14,16H,4-5,10-13H2,1-3H3
InChIKeyDGMFGRMAGHWIQB-UHFFFAOYSA-N
XLogP3.44
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone (CID 70783164) is [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone is Cc1ccc(OCC2CCCN(C(=O)c3csc(CN(C)C)n3)C2)cc1.
What is the InChIKey of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is DGMFGRMAGHWIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15-6-8-17(9-7-15)25-13-16-5-4-10-23(11-16)20(24)18-14-26-19(21-18)12-22(2)3/h6-9,14,16H,4-5,10-13H2,1-3H3.
What are the key properties of [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone?
[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 373.52 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70783164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).