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

C23H24ClN5O2S — CID 53123045

IUPAC1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(c3nc4c(s3)c(C)nn4-c3ccc(Cl)cc3)C2)o1
InChIInChI=1S/C23H24ClN5O2S/c1-14-5-10-19(31-14)12-25-22(30)16-4-3-11-28(13-16)23-26-21-20(32-23)15(2)27-29(21)18-8-6-17(24)7-9-18/h5-10,16H,3-4,11-13H2,1-2H3,(H,25,30)
InChIKeyCHZLPTSFWAWDKF-UHFFFAOYSA-N
MW470.00 g/mol
LogP4.88
Rot. Bonds5

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

1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 53123045) has the molecular formula C23H24ClN5O2S and a molecular weight of 470.00 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
PubChem CID53123045
Molecular FormulaC23H24ClN5O2S
Molecular Weight470.00 g/mol
Exact Mass469.13
IUPAC Name1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(c3nc4c(s3)c(C)nn4-c3ccc(Cl)cc3)C2)o1
InChIInChI=1S/C23H24ClN5O2S/c1-14-5-10-19(31-14)12-25-22(30)16-4-3-11-28(13-16)23-26-21-20(32-23)15(2)27-29(21)18-8-6-17(24)7-9-18/h5-10,16H,3-4,11-13H2,1-2H3,(H,25,30)
InChIKeyCHZLPTSFWAWDKF-UHFFFAOYSA-N
XLogP4.88
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.00
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-propylpiperidine-3-carboxamide
CID 95090664
(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95090668
1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-cyclopentylpiperidine-3-carboxamide
CID 53123033
1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53123065
(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
CID 95090678
(3R)-N-[(2-fluorophenyl)methyl]-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090641
(3R)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95113658
(3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
CID 95090887
N-[(3-methoxyphenyl)methyl]-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123022
1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53123028
1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 53123195
(3S)-1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95090689

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide (CID 53123045) is 1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(c3nc4c(s3)c(C)nn4-c3ccc(Cl)cc3)C2)o1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is CHZLPTSFWAWDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2S/c1-14-5-10-19(31-14)12-25-22(30)16-4-3-11-28(13-16)23-26-21-20(32-23)15(2)27-29(21)18-8-6-17(24)7-9-18/h5-10,16H,3-4,11-13H2,1-2H3,(H,25,30).
What are the key properties of 1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide?
1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 470.00 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53123045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).