N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide

C18H21N3O3S — CID 2999861

IUPACN-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C18H21N3O3S/c1-12(22)13-6-5-7-14(10-13)19-16(23)11-15-17(24)20-18(25-15)21-8-3-2-4-9-21/h5-7,10,15H,2-4,8-9,11H2,1H3,(H,19,23)
InChIKeyUYWIRUMRINNODQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.70
Rot. Bonds4

About N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide

N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 2999861) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID2999861
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C18H21N3O3S/c1-12(22)13-6-5-7-14(10-13)19-16(23)11-15-17(24)20-18(25-15)21-8-3-2-4-9-21/h5-7,10,15H,2-4,8-9,11H2,1H3,(H,19,23)
InChIKeyUYWIRUMRINNODQ-UHFFFAOYSA-N
XLogP2.70
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-(4-Oxo-2-(piperidin-1-yl)-4,5-dihydro-1,3-thiazol-5-yl)acetamido)benzoic acid
CID 2999097
1-{4-[(5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl}ethan-1-one
CID 2384537
N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2107354
N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 4844788
N-phenyl-N-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)benzamide
CID 820120
N-(3-acetylphenyl)-2-benzylsulfanylacetamide
CID 886875
N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)-3-(dimethylamino)benzamide
CID 44443140
2-(5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-ylthio)-N-phenylacetamide (4a)
CID 122198604
2-(3-Ethyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N-phenyl-acetamide
CID 865153
N-(3-acetylphenyl)-2-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl}acetamide
CID 1252665
N-(4-Acetyl-phenyl)-2-(3-methyl-2-methylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 2938655
3-Ethyl-2-ethylimino-4-oxo-[1,3]thiazinane-6-carboxylic acid m-tolylamide
CID 3139558

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide (CID 2999861) is N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide is CC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is UYWIRUMRINNODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12(22)13-6-5-7-14(10-13)19-16(23)11-15-17(24)20-18(25-15)21-8-3-2-4-9-21/h5-7,10,15H,2-4,8-9,11H2,1H3,(H,19,23).
What are the key properties of N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 2999861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).