cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone

C22H27N5OS — CID 53197298

IUPACcyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)C5CCCC5)CC4)nc32)cc1
InChIInChI=1S/C22H27N5OS/c1-15-7-9-18(10-8-15)27-20-19(16(2)24-27)29-22(23-20)26-13-11-25(12-14-26)21(28)17-5-3-4-6-17/h7-10,17H,3-6,11-14H2,1-2H3
InChIKeyXPNGKRCDBTVNOX-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.94
Rot. Bonds3

About cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone

cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone (PubChem CID 53197298) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
PubChem CID53197298
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Namecyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)C5CCCC5)CC4)nc32)cc1
InChIInChI=1S/C22H27N5OS/c1-15-7-9-18(10-8-15)27-20-19(16(2)24-27)29-22(23-20)26-13-11-25(12-14-26)21(28)17-5-3-4-6-17/h7-10,17H,3-6,11-14H2,1-2H3
InChIKeyXPNGKRCDBTVNOX-UHFFFAOYSA-N
XLogP3.94
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone (CID 53197298) is cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone is Cc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)C5CCCC5)CC4)nc32)cc1.
What is the InChIKey of cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone?
The InChIKey is XPNGKRCDBTVNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-15-7-9-18(10-8-15)27-20-19(16(2)24-27)29-22(23-20)26-13-11-25(12-14-26)21(28)17-5-3-4-6-17/h7-10,17H,3-6,11-14H2,1-2H3.
What are the key properties of cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone?
cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone has a molecular weight of 409.56 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53197298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).