3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide

C22H29N5OS — CID 53198136

IUPAC3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide
SMILESCc1ccc(-n2nc(C)c3sc(N4CCC(NC(=O)CC(C)C)CC4)nc32)cc1
InChIInChI=1S/C22H29N5OS/c1-14(2)13-19(28)23-17-9-11-26(12-10-17)22-24-21-20(29-22)16(4)25-27(21)18-7-5-15(3)6-8-18/h5-8,14,17H,9-13H2,1-4H3,(H,23,28)
InChIKeyLKBBLBUDNVKQOK-UHFFFAOYSA-N
MW411.58 g/mol
LogP4.23
Rot. Bonds5

About 3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide

3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide (PubChem CID 53198136) has the molecular formula C22H29N5OS and a molecular weight of 411.58 g/mol. Its IUPAC name is 3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide
PubChem CID53198136
Molecular FormulaC22H29N5OS
Molecular Weight411.58 g/mol
Exact Mass411.21
IUPAC Name3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide
SMILESCc1ccc(-n2nc(C)c3sc(N4CCC(NC(=O)CC(C)C)CC4)nc32)cc1
InChIInChI=1S/C22H29N5OS/c1-14(2)13-19(28)23-17-9-11-26(12-10-17)22-24-21-20(29-22)16(4)25-27(21)18-7-5-15(3)6-8-18/h5-8,14,17H,9-13H2,1-4H3,(H,23,28)
InChIKeyLKBBLBUDNVKQOK-UHFFFAOYSA-N
XLogP4.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide
CID 53198079
(3R)-N-cycloheptyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090712
cyclopentyl-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197298
2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide
CID 53198202
1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53123065
3,5-dimethoxy-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide
CID 53198193
(3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090961
1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-cyclopentylpiperidine-3-carboxamide
CID 53123033
4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide
CID 53198179
(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
2,2-dimethyl-1-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]butan-1-one
CID 53198361
N-cyclohexyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123213

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide?
The IUPAC name of 3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide (CID 53198136) is 3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide?
The canonical SMILES for 3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide is Cc1ccc(-n2nc(C)c3sc(N4CCC(NC(=O)CC(C)C)CC4)nc32)cc1.
What is the InChIKey of 3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide?
The InChIKey is LKBBLBUDNVKQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5OS/c1-14(2)13-19(28)23-17-9-11-26(12-10-17)22-24-21-20(29-22)16(4)25-27(21)18-7-5-15(3)6-8-18/h5-8,14,17H,9-13H2,1-4H3,(H,23,28).
What are the key properties of 3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide?
3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide has a molecular weight of 411.58 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide is sourced from PubChem (CID 53198136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).