2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide

C18H23N3OS — CID 110328814

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2ccc(N3CCCCC3)cc2)s1
InChIInChI=1S/C18H23N3OS/c1-13-17(23-14(2)19-13)12-18(22)20-15-6-8-16(9-7-15)21-10-4-3-5-11-21/h6-9H,3-5,10-12H2,1-2H3,(H,20,22)
InChIKeyWKCQWAVEMKYGQF-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.93
Rot. Bonds4

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 110328814) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID110328814
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2ccc(N3CCCCC3)cc2)s1
InChIInChI=1S/C18H23N3OS/c1-13-17(23-14(2)19-13)12-18(22)20-15-6-8-16(9-7-15)21-10-4-3-5-11-21/h6-9H,3-5,10-12H2,1-2H3,(H,20,22)
InChIKeyWKCQWAVEMKYGQF-UHFFFAOYSA-N
XLogP3.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110374646
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 84565281
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995876
N-cyclopropyl-2-[4-[[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 131947902
(2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate
CID 75375858
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 3574156
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 45492808
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide (CID 110328814) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide is Cc1nc(C)c(CC(=O)Nc2ccc(N3CCCCC3)cc2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is WKCQWAVEMKYGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-17(23-14(2)19-13)12-18(22)20-15-6-8-16(9-7-15)21-10-4-3-5-11-21/h6-9H,3-5,10-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110328814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).