2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide

C17H21N3O2S — CID 810541

IUPAC2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(-c2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C17H21N3O2S/c1-22-11-16(21)18-14-7-5-6-13(10-14)15-12-23-17(19-15)20-8-3-2-4-9-20/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyYLNKRAMRPWITRZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.39
Rot. Bonds5

About 2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide

2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 810541) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID810541
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(-c2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C17H21N3O2S/c1-22-11-16(21)18-14-7-5-6-13(10-14)15-12-23-17(19-15)20-8-3-2-4-9-20/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,18,21)
InChIKeyYLNKRAMRPWITRZ-UHFFFAOYSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810349
2-(4-chlorophenoxy)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 1195308
N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
CID 42663636
2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4267628
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1195316
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294
(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265295
4-bromo-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 4215740
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxyacetamide
CID 810478
(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488
3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 810541) is 2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide is COCC(=O)Nc1cccc(-c2csc(N3CCCCC3)n2)c1.
What is the InChIKey of 2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is YLNKRAMRPWITRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-22-11-16(21)18-14-7-5-6-13(10-14)15-12-23-17(19-15)20-8-3-2-4-9-20/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,18,21).
What are the key properties of 2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 810541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).