N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide

C20H28N4O2S — CID 72881857

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN1CCC(CN(Cc2ccncc2)C(=O)c2csc(C)n2)CC1
InChIInChI=1S/C20H28N4O2S/c1-16-22-19(15-27-16)20(25)24(13-17-3-7-21-8-4-17)14-18-5-9-23(10-6-18)11-12-26-2/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3
InChIKeyNQBISLSRLCJFOC-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.85
Rot. Bonds8

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 72881857) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID72881857
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN1CCC(CN(Cc2ccncc2)C(=O)c2csc(C)n2)CC1
InChIInChI=1S/C20H28N4O2S/c1-16-22-19(15-27-16)20(25)24(13-17-3-7-21-8-4-17)14-18-5-9-23(10-6-18)11-12-26-2/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3
InChIKeyNQBISLSRLCJFOC-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide (CID 72881857) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide is COCCN1CCC(CN(Cc2ccncc2)C(=O)c2csc(C)n2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NQBISLSRLCJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-16-22-19(15-27-16)20(25)24(13-17-3-7-21-8-4-17)14-18-5-9-23(10-6-18)11-12-26-2/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72881857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).