1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C15H15Cl2N3OS — CID 623279

IUPAC1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1
InChIInChI=1S/C15H15Cl2N3OS/c16-10-1-2-11(12(17)7-10)13-8-22-15(19-13)20-5-3-9(4-6-20)14(18)21/h1-2,7-9H,3-6H2,(H2,18,21)
InChIKeyGVYMYTNQSCUUQV-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.82
Rot. Bonds3

About 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 623279) has the molecular formula C15H15Cl2N3OS and a molecular weight of 356.28 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID623279
Molecular FormulaC15H15Cl2N3OS
Molecular Weight356.28 g/mol
Exact Mass355.03
IUPAC Name1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1
InChIInChI=1S/C15H15Cl2N3OS/c16-10-1-2-11(12(17)7-10)13-8-22-15(19-13)20-5-3-9(4-6-20)14(18)21/h1-2,7-9H,3-6H2,(H2,18,21)
InChIKeyGVYMYTNQSCUUQV-UHFFFAOYSA-N
XLogP3.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 630762
1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 123534585
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907749
ethyl 1-[4-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 143937001
1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907660
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38158820
(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 97350829
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 122047336
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907689
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 68778558

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 623279) is 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1.
What is the InChIKey of 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is GVYMYTNQSCUUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3OS/c16-10-1-2-11(12(17)7-10)13-8-22-15(19-13)20-5-3-9(4-6-20)14(18)21/h1-2,7-9H,3-6H2,(H2,18,21).
What are the key properties of 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 356.28 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 623279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).