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

C14H23N3O2S — CID 71880003

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cnc(C)s2)CC1
InChIInChI=1S/C14H23N3O2S/c1-11-15-10-13(20-11)14(18)16-9-12-3-5-17(6-4-12)7-8-19-2/h10,12H,3-9H2,1-2H3,(H,16,18)
InChIKeyYUONNSWXJLRYAG-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.54
Rot. Bonds6

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

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 71880003) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID71880003
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cnc(C)s2)CC1
InChIInChI=1S/C14H23N3O2S/c1-11-15-10-13(20-11)14(18)16-9-12-3-5-17(6-4-12)7-8-19-2/h10,12H,3-9H2,1-2H3,(H,16,18)
InChIKeyYUONNSWXJLRYAG-UHFFFAOYSA-N
XLogP1.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 71880003) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide is COCCN1CCC(CNC(=O)c2cnc(C)s2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YUONNSWXJLRYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-15-10-13(20-11)14(18)16-9-12-3-5-17(6-4-12)7-8-19-2/h10,12H,3-9H2,1-2H3,(H,16,18).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71880003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).