1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide

C19H22ClN3O2S — CID 86263734

IUPAC1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2sc(-c3ccccc3Cl)nc2C)CC1
InChIInChI=1S/C19H22ClN3O2S/c1-12-17(26-19(22-12)15-5-3-4-6-16(15)20)11-21-18(25)14-7-9-23(10-8-14)13(2)24/h3-6,14H,7-11H2,1-2H3,(H,21,25)
InChIKeyWJBDMCOTWUSWGP-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.65
Rot. Bonds4

About 1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide

1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 86263734) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID86263734
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2sc(-c3ccccc3Cl)nc2C)CC1
InChIInChI=1S/C19H22ClN3O2S/c1-12-17(26-19(22-12)15-5-3-4-6-16(15)20)11-21-18(25)14-7-9-23(10-8-14)13(2)24/h3-6,14H,7-11H2,1-2H3,(H,21,25)
InChIKeyWJBDMCOTWUSWGP-UHFFFAOYSA-N
XLogP3.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 97040611
1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121122731
(2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
CID 97040610
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
CID 71795593
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
CID 121123060
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-9H-xanthene-9-carboxamide
CID 121123057
2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 71795631
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121169161
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 121123213
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide (CID 86263734) is 1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2sc(-c3ccccc3Cl)nc2C)CC1.
What is the InChIKey of 1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is WJBDMCOTWUSWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-12-17(26-19(22-12)15-5-3-4-6-16(15)20)11-21-18(25)14-7-9-23(10-8-14)13(2)24/h3-6,14H,7-11H2,1-2H3,(H,21,25).
What are the key properties of 1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide?
1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 86263734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).