N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide

C15H23N3O2S — CID 50978508

IUPACN-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1=CCCN(Cc2nc(C)c(C)s2)C1
InChIInChI=1S/C15H23N3O2S/c1-11-12(2)21-15(17-11)9-18-6-4-5-13(8-18)7-16-14(19)10-20-3/h5H,4,6-10H2,1-3H3,(H,16,19)
InChIKeyAQWXQFNKKLFYRY-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.65
Rot. Bonds6

About N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide

N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide (PubChem CID 50978508) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide
PubChem CID50978508
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1=CCCN(Cc2nc(C)c(C)s2)C1
InChIInChI=1S/C15H23N3O2S/c1-11-12(2)21-15(17-11)9-18-6-4-5-13(8-18)7-16-14(19)10-20-3/h5H,4,6-10H2,1-3H3,(H,16,19)
InChIKeyAQWXQFNKKLFYRY-UHFFFAOYSA-N
XLogP1.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide (CID 50978508) is N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide is COCC(=O)NCC1=CCCN(Cc2nc(C)c(C)s2)C1.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide?
The InChIKey is AQWXQFNKKLFYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11-12(2)21-15(17-11)9-18-6-4-5-13(8-18)7-16-14(19)10-20-3/h5H,4,6-10H2,1-3H3,(H,16,19).
What are the key properties of N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide?
N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide has a molecular weight of 309.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 50978508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).