2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide

C20H27N3O2S — CID 138997085

IUPAC2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCOCc1ncc(C(=O)NCC(c2ccccc2)N2CCC(C)CC2)s1
InChIInChI=1S/C20H27N3O2S/c1-15-8-10-23(11-9-15)17(16-6-4-3-5-7-16)12-22-20(24)18-13-21-19(26-18)14-25-2/h3-7,13,15,17H,8-12,14H2,1-2H3,(H,22,24)
InChIKeyRLVAUKWQJRUWMC-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.49
Rot. Bonds7

About 2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide

2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 138997085) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide
PubChem CID138997085
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCOCc1ncc(C(=O)NCC(c2ccccc2)N2CCC(C)CC2)s1
InChIInChI=1S/C20H27N3O2S/c1-15-8-10-23(11-9-15)17(16-6-4-3-5-7-16)12-22-20(24)18-13-21-19(26-18)14-25-2/h3-7,13,15,17H,8-12,14H2,1-2H3,(H,22,24)
InChIKeyRLVAUKWQJRUWMC-UHFFFAOYSA-N
XLogP3.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide (CID 138997085) is 2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide is COCc1ncc(C(=O)NCC(c2ccccc2)N2CCC(C)CC2)s1.
What is the InChIKey of 2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RLVAUKWQJRUWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15-8-10-23(11-9-15)17(16-6-4-3-5-7-16)12-22-20(24)18-13-21-19(26-18)14-25-2/h3-7,13,15,17H,8-12,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide?
2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 138997085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).