2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide

C19H25N3O2S — CID 110374646

IUPAC2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOCc1nc(C)c(CC(=O)Nc2ccc(N3CCCCC3)cc2)s1
InChIInChI=1S/C19H25N3O2S/c1-14-17(25-19(20-14)13-24-2)12-18(23)21-15-6-8-16(9-7-15)22-10-4-3-5-11-22/h6-9H,3-5,10-13H2,1-2H3,(H,21,23)
InChIKeyPSYNBJQIHUSRLL-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.77
Rot. Bonds6

About 2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 110374646) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID110374646
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOCc1nc(C)c(CC(=O)Nc2ccc(N3CCCCC3)cc2)s1
InChIInChI=1S/C19H25N3O2S/c1-14-17(25-19(20-14)13-24-2)12-18(23)21-15-6-8-16(9-7-15)22-10-4-3-5-11-22/h6-9H,3-5,10-13H2,1-2H3,(H,21,23)
InChIKeyPSYNBJQIHUSRLL-UHFFFAOYSA-N
XLogP3.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110328814
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 84565281
2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 110374899
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
methyl 4-[[2-(4-piperidin-1-ylphenyl)acetyl]amino]benzoate
CID 110409606
2-(1,3-benzothiazol-2-ylmethoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7594237
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110424986
N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110386804
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 110374646) is 2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide is COCc1nc(C)c(CC(=O)Nc2ccc(N3CCCCC3)cc2)s1.
What is the InChIKey of 2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is PSYNBJQIHUSRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-17(25-19(20-14)13-24-2)12-18(23)21-15-6-8-16(9-7-15)22-10-4-3-5-11-22/h6-9H,3-5,10-13H2,1-2H3,(H,21,23).
What are the key properties of 2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110374646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).