2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide

C19H25N3OS — CID 119459858

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC3CCCNC3)cs2)cc1
InChIInChI=1S/C19H25N3OS/c1-2-14-5-7-16(8-6-14)19-22-17(13-24-19)10-18(23)21-12-15-4-3-9-20-11-15/h5-8,13,15,20H,2-4,9-12H2,1H3,(H,21,23)
InChIKeyPKVAFUQMLCRPIX-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.03
Rot. Bonds6

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

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119459858) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119459858
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC3CCCNC3)cs2)cc1
InChIInChI=1S/C19H25N3OS/c1-2-14-5-7-16(8-6-14)19-22-17(13-24-19)10-18(23)21-12-15-4-3-9-20-11-15/h5-8,13,15,20H,2-4,9-12H2,1H3,(H,21,23)
InChIKeyPKVAFUQMLCRPIX-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119464312
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120948693
N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 119461328
2-methyl-N-[4-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119461261
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510569
2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119461121
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide;dihydrochloride
CID 119513323
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
methyl 4-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 18192876
2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119464645

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide (CID 119459858) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide is CCc1ccc(-c2nc(CC(=O)NCC3CCCNC3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is PKVAFUQMLCRPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-2-14-5-7-16(8-6-14)19-22-17(13-24-19)10-18(23)21-12-15-4-3-9-20-11-15/h5-8,13,15,20H,2-4,9-12H2,1H3,(H,21,23).
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 343.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119459858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).