N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide

C16H17ClFN3O2S — CID 2109477

IUPACN-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
SMILESO=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFN3O2S/c17-11-8-10(4-5-12(11)18)19-14(22)9-13-15(23)20-16(24-13)21-6-2-1-3-7-21/h4-5,8,13H,1-3,6-7,9H2,(H,19,22)/t13-/m1/s1
InChIKeyIIJHQPUPECOBKE-CYBMUJFWSA-N
MW369.85 g/mol
LogP3.29
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 2109477) has the molecular formula C16H17ClFN3O2S and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
PubChem CID2109477
Molecular FormulaC16H17ClFN3O2S
Molecular Weight369.85 g/mol
Exact Mass369.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
SMILESO=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFN3O2S/c17-11-8-10(4-5-12(11)18)19-14(22)9-13-15(23)20-16(24-13)21-6-2-1-3-7-21/h4-5,8,13H,1-3,6-7,9H2,(H,19,22)/t13-/m1/s1
InChIKeyIIJHQPUPECOBKE-CYBMUJFWSA-N
XLogP3.29
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996535
N-(4-chlorophenyl)-3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40972701
N-(3-chloro-4-methylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 45354187
N-naphthalen-2-yl-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 24587710
N-methyl-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 7612288
2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9398924
N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874464
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874466
N-[4-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7612301
N-(3-chloro-4-fluorophenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725485
N-(3-chloro-2-methylphenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097413

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide (CID 2109477) is N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide is O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?
The InChIKey is IIJHQPUPECOBKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17ClFN3O2S/c17-11-8-10(4-5-12(11)18)19-14(22)9-13-15(23)20-16(24-13)21-6-2-1-3-7-21/h4-5,8,13H,1-3,6-7,9H2,(H,19,22)/t13-/m1/s1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 369.85 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 2109477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).