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

C19H21Cl2N3O2S — CID 55811278

IUPACN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1
InChIInChI=1S/C19H21Cl2N3O2S/c1-2-16(25)24-8-4-6-13(11-24)18(26)23-19-22-10-14(27-19)9-12-5-3-7-15(20)17(12)21/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3,(H,22,23,26)
InChIKeyKSBIGYIIVNSAFR-UHFFFAOYSA-N
MW426.37 g/mol
LogP4.63
Rot. Bonds5

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

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 55811278) has the molecular formula C19H21Cl2N3O2S and a molecular weight of 426.37 g/mol. Its IUPAC name is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
PubChem CID55811278
Molecular FormulaC19H21Cl2N3O2S
Molecular Weight426.37 g/mol
Exact Mass425.07
IUPAC NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1
InChIInChI=1S/C19H21Cl2N3O2S/c1-2-16(25)24-8-4-6-13(11-24)18(26)23-19-22-10-14(27-19)9-12-5-3-7-15(20)17(12)21/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3,(H,22,23,26)
InChIKeyKSBIGYIIVNSAFR-UHFFFAOYSA-N
XLogP4.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55608214
(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 1143583
1-butanoyl-N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55871777
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55993442
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46588106
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46515850
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 7454388
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093544
(2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120785464
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide (CID 55811278) is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)C1.
What is the InChIKey of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is KSBIGYIIVNSAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2S/c1-2-16(25)24-8-4-6-13(11-24)18(26)23-19-22-10-14(27-19)9-12-5-3-7-15(20)17(12)21/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3,(H,22,23,26).
What are the key properties of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide?
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 426.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 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]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 55811278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).