2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide

C23H25ClN4OS — CID 166231856

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide
SMILESCC(c1ccncc1)N1CCC(NC(=O)Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C23H25ClN4OS/c1-16(17-6-10-25-11-7-17)28-12-8-18(9-13-28)26-22(29)14-19-15-30-23(27-19)20-4-2-3-5-21(20)24/h2-7,10-11,15-16,18H,8-9,12-14H2,1H3,(H,26,29)
InChIKeyAICMEDIQYMXHPB-UHFFFAOYSA-N
MW441.00 g/mol
LogP4.74
Rot. Bonds6

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide (PubChem CID 166231856) has the molecular formula C23H25ClN4OS and a molecular weight of 441.00 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide
PubChem CID166231856
Molecular FormulaC23H25ClN4OS
Molecular Weight441.00 g/mol
Exact Mass440.14
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide
SMILESCC(c1ccncc1)N1CCC(NC(=O)Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C23H25ClN4OS/c1-16(17-6-10-25-11-7-17)28-12-8-18(9-13-28)26-22(29)14-19-15-30-23(27-19)20-4-2-3-5-21(20)24/h2-7,10-11,15-16,18H,8-9,12-14H2,1H3,(H,26,29)
InChIKeyAICMEDIQYMXHPB-UHFFFAOYSA-N
XLogP4.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.00
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 47035370
N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119476448
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-phenylpropyl)acetamide
CID 43017112
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9457086
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 43031352
N-[(1S)-1-(1-adamantyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 7669216
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
3-(5-methyl-1,2-oxazol-3-yl)-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]propanamide
CID 167941273
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 166231700
N-(3-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119996517

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide (CID 166231856) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide is CC(c1ccncc1)N1CCC(NC(=O)Cc2csc(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide?
The InChIKey is AICMEDIQYMXHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4OS/c1-16(17-6-10-25-11-7-17)28-12-8-18(9-13-28)26-22(29)14-19-15-30-23(27-19)20-4-2-3-5-21(20)24/h2-7,10-11,15-16,18H,8-9,12-14H2,1H3,(H,26,29).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide has a molecular weight of 441.00 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 166231856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).