4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide

C19H23ClN4O2S — CID 71841874

IUPAC4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide
SMILESCC(=O)NCCc1csc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)n1
InChIInChI=1S/C19H23ClN4O2S/c1-13(25)21-9-6-15-12-27-18(22-15)14-7-10-24(11-8-14)19(26)23-17-5-3-2-4-16(17)20/h2-5,12,14H,6-11H2,1H3,(H,21,25)(H,23,26)
InChIKeyCUZZVRAEFLJNMK-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.89
Rot. Bonds5

About 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide

4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide (PubChem CID 71841874) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide
PubChem CID71841874
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide
SMILESCC(=O)NCCc1csc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)n1
InChIInChI=1S/C19H23ClN4O2S/c1-13(25)21-9-6-15-12-27-18(22-15)14-7-10-24(11-8-14)19(26)23-17-5-3-2-4-16(17)20/h2-5,12,14H,6-11H2,1H3,(H,21,25)(H,23,26)
InChIKeyCUZZVRAEFLJNMK-UHFFFAOYSA-N
XLogP3.89
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide (CID 71841874) is 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide is CC(=O)NCCc1csc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)n1.
What is the InChIKey of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is CUZZVRAEFLJNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2S/c1-13(25)21-9-6-15-12-27-18(22-15)14-7-10-24(11-8-14)19(26)23-17-5-3-2-4-16(17)20/h2-5,12,14H,6-11H2,1H3,(H,21,25)(H,23,26).
What are the key properties of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide?
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 71841874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).