2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide

C24H23ClFN5OS — CID 53198079

IUPAC2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)Cc4ccc(Cl)cc4)CC3)sc12
InChIInChI=1S/C24H23ClFN5OS/c1-15-22-23(31(29-15)20-8-6-18(26)7-9-20)28-24(33-22)30-12-10-19(11-13-30)27-21(32)14-16-2-4-17(25)5-3-16/h2-9,19H,10-14H2,1H3,(H,27,32)
InChIKeyXKIQESSLLSGWHE-UHFFFAOYSA-N
MW484.00 g/mol
LogP4.91
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide

2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide (PubChem CID 53198079) has the molecular formula C24H23ClFN5OS and a molecular weight of 484.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide
PubChem CID53198079
Molecular FormulaC24H23ClFN5OS
Molecular Weight484.00 g/mol
Exact Mass483.13
IUPAC Name2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)Cc4ccc(Cl)cc4)CC3)sc12
InChIInChI=1S/C24H23ClFN5OS/c1-15-22-23(31(29-15)20-8-6-18(26)7-9-20)28-24(33-22)30-12-10-19(11-13-30)27-21(32)14-16-2-4-17(25)5-3-16/h2-9,19H,10-14H2,1H3,(H,27,32)
InChIKeyXKIQESSLLSGWHE-UHFFFAOYSA-N
XLogP4.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide (CID 53198079) is 2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide is Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC(NC(=O)Cc4ccc(Cl)cc4)CC3)sc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide?
The InChIKey is XKIQESSLLSGWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5OS/c1-15-22-23(31(29-15)20-8-6-18(26)7-9-20)28-24(33-22)30-12-10-19(11-13-30)27-21(32)14-16-2-4-17(25)5-3-16/h2-9,19H,10-14H2,1H3,(H,27,32).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide?
2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide has a molecular weight of 484.00 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53198079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).