N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide

C14H23N3O2S — CID 110386447

IUPACN-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(CCN2CCCC2)nc1C
InChIInChI=1S/C14H23N3O2S/c1-11-13(14(18)15-6-10-19-2)20-12(16-11)5-9-17-7-3-4-8-17/h3-10H2,1-2H3,(H,15,18)
InChIKeyGAXORYOLMYTALB-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.47
Rot. Bonds7

About N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide

N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110386447) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110386447
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(CCN2CCCC2)nc1C
InChIInChI=1S/C14H23N3O2S/c1-11-13(14(18)15-6-10-19-2)20-12(16-11)5-9-17-7-3-4-8-17/h3-10H2,1-2H3,(H,15,18)
InChIKeyGAXORYOLMYTALB-UHFFFAOYSA-N
XLogP1.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 110386447) is N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide is COCCNC(=O)c1sc(CCN2CCCC2)nc1C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GAXORYOLMYTALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-13(14(18)15-6-10-19-2)20-12(16-11)5-9-17-7-3-4-8-17/h3-10H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110386447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).