N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide

C16H15Cl2N3O2S — CID 71894360

IUPACN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CN1
InChIInChI=1S/C16H15Cl2N3O2S/c17-12-3-1-2-9(14(12)18)6-11-8-20-16(24-11)21-15(23)10-4-5-13(22)19-7-10/h1-3,8,10H,4-7H2,(H,19,22)(H,20,21,23)
InChIKeyFKNATWDNPXQNKX-UHFFFAOYSA-N
MW384.29 g/mol
LogP3.51
Rot. Bonds4

About N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide (PubChem CID 71894360) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
PubChem CID71894360
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CN1
InChIInChI=1S/C16H15Cl2N3O2S/c17-12-3-1-2-9(14(12)18)6-11-8-20-16(24-11)21-15(23)10-4-5-13(22)19-7-10/h1-3,8,10H,4-7H2,(H,19,22)(H,20,21,23)
InChIKeyFKNATWDNPXQNKX-UHFFFAOYSA-N
XLogP3.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 1143583
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
CID 112810438
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
(2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120785464
1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46588106
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 55811278
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55608214
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827660
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 2282754
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 7454388
1-butanoyl-N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55871777
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4516531

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide (CID 71894360) is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CN1.
What is the InChIKey of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
The InChIKey is FKNATWDNPXQNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c17-12-3-1-2-9(14(12)18)6-11-8-20-16(24-11)21-15(23)10-4-5-13(22)19-7-10/h1-3,8,10H,4-7H2,(H,19,22)(H,20,21,23).
What are the key properties of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide?
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide has a molecular weight of 384.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 71894360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).