2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

C20H27N3O2S — CID 75448495

IUPAC2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOC(C)c1nc(C)c(C(=O)NCc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C20H27N3O2S/c1-14-18(26-20(22-14)15(2)25-3)19(24)21-13-16-9-5-6-10-17(16)23-11-7-4-8-12-23/h5-6,9-10,15H,4,7-8,11-13H2,1-3H3,(H,21,24)
InChIKeyYTNVJECLQFIILG-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.08
Rot. Bonds6

About 2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 75448495) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID75448495
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOC(C)c1nc(C)c(C(=O)NCc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C20H27N3O2S/c1-14-18(26-20(22-14)15(2)25-3)19(24)21-13-16-9-5-6-10-17(16)23-11-7-4-8-12-23/h5-6,9-10,15H,4,7-8,11-13H2,1-3H3,(H,21,24)
InChIKeyYTNVJECLQFIILG-UHFFFAOYSA-N
XLogP4.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 75448495) is 2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is COC(C)c1nc(C)c(C(=O)NCc2ccccc2N2CCCCC2)s1.
What is the InChIKey of 2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YTNVJECLQFIILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14-18(26-20(22-14)15(2)25-3)19(24)21-13-16-9-5-6-10-17(16)23-11-7-4-8-12-23/h5-6,9-10,15H,4,7-8,11-13H2,1-3H3,(H,21,24).
What are the key properties of 2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75448495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).