N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide

C16H21N3O2S — CID 110342109

IUPACN-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESCCCCN(C)C(=O)Cc1csc(COc2cccnc2)n1
InChIInChI=1S/C16H21N3O2S/c1-3-4-8-19(2)16(20)9-13-12-22-15(18-13)11-21-14-6-5-7-17-10-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3
InChIKeyKEURLRVIUJAWPV-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.92
Rot. Bonds8

About N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide

N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110342109) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110342109
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESCCCCN(C)C(=O)Cc1csc(COc2cccnc2)n1
InChIInChI=1S/C16H21N3O2S/c1-3-4-8-19(2)16(20)9-13-12-22-15(18-13)11-21-14-6-5-7-17-10-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3
InChIKeyKEURLRVIUJAWPV-UHFFFAOYSA-N
XLogP2.92
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342044
2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 110342050
N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 134008734
3-[methyl-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119232998
N-(3,5-dimethylphenyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342123
N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649314
N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
CID 110386244
N-(furan-2-ylmethyl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342067
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 111543162
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110341871
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]ethanone
CID 110342119
3-[methyl-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032651

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide (CID 110342109) is N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide is CCCCN(C)C(=O)Cc1csc(COc2cccnc2)n1.
What is the InChIKey of N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is KEURLRVIUJAWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-4-8-19(2)16(20)9-13-12-22-15(18-13)11-21-14-6-5-7-17-10-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide?
N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110342109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).