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

C14H23N3O2S — CID 42851064

IUPACN-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)c1csc(CN2CCC(C)CC2)n1
InChIInChI=1S/C14H23N3O2S/c1-11-3-6-17(7-4-11)9-13-16-12(10-20-13)14(18)15-5-8-19-2/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyDUUWKODTCXOBHE-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.75
Rot. Bonds6

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

N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 42851064) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID42851064
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)c1csc(CN2CCC(C)CC2)n1
InChIInChI=1S/C14H23N3O2S/c1-11-3-6-17(7-4-11)9-13-16-12(10-20-13)14(18)15-5-8-19-2/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyDUUWKODTCXOBHE-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62789140
N-(2-methoxyethyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095409
2-[(4-benzylpiperidin-1-yl)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46043708
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119861365
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240
2-(aminomethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119865544
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 46056147
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119866579
2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119852710
2-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 84756543

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide (CID 42851064) is N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide is COCCNC(=O)c1csc(CN2CCC(C)CC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DUUWKODTCXOBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-3-6-17(7-4-11)9-13-16-12(10-20-13)14(18)15-5-8-19-2/h10-11H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42851064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).