1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide

C19H24ClN3OS — CID 46944091

IUPAC1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C19H24ClN3OS/c1-3-21-18(24)19(2)9-4-10-23(13-19)11-16-12-25-17(22-16)14-5-7-15(20)8-6-14/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,21,24)
InChIKeyOKIDEFYTMZZKGO-UHFFFAOYSA-N
MW377.94 g/mol
LogP4.20
Rot. Bonds5

About 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide

1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide (PubChem CID 46944091) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide
PubChem CID46944091
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C19H24ClN3OS/c1-3-21-18(24)19(2)9-4-10-23(13-19)11-16-12-25-17(22-16)14-5-7-15(20)8-6-14/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,21,24)
InChIKeyOKIDEFYTMZZKGO-UHFFFAOYSA-N
XLogP4.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide (CID 46944091) is 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide is CCNC(=O)C1(C)CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide?
The InChIKey is OKIDEFYTMZZKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3OS/c1-3-21-18(24)19(2)9-4-10-23(13-19)11-16-12-25-17(22-16)14-5-7-15(20)8-6-14/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,21,24).
What are the key properties of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide?
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide has a molecular weight of 377.94 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 46944091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).