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

C19H26N4OS — CID 110386804

IUPAC2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCN(C)Cc1nc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cs1
InChIInChI=1S/C19H26N4OS/c1-22(2)13-19-21-16(14-25-19)12-18(24)20-15-6-8-17(9-7-15)23-10-4-3-5-11-23/h6-9,14H,3-5,10-13H2,1-2H3,(H,20,24)
InChIKeyHYMHDDASWJMXNE-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.38
Rot. Bonds6

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

2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 110386804) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID110386804
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCN(C)Cc1nc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cs1
InChIInChI=1S/C19H26N4OS/c1-22(2)13-19-21-16(14-25-19)12-18(24)20-15-6-8-17(9-7-15)23-10-4-3-5-11-23/h6-9,14H,3-5,10-13H2,1-2H3,(H,20,24)
InChIKeyHYMHDDASWJMXNE-UHFFFAOYSA-N
XLogP3.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.38
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-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110386803
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110386782
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16590997
N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
CID 110386789
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 46453077
3-(4-methyl-1,3-thiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110388522
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38925497
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110424986
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110328814
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 51213356

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 110386804) is 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide is CN(C)Cc1nc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cs1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is HYMHDDASWJMXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-22(2)13-19-21-16(14-25-19)12-18(24)20-15-6-8-17(9-7-15)23-10-4-3-5-11-23/h6-9,14H,3-5,10-13H2,1-2H3,(H,20,24).
What are the key properties of 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 358.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110386804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).