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

C25H27N5OS — CID 53198202

IUPAC2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide
SMILESCc1cccc(-n2nc(C)c3sc(N4CCC(NC(=O)c5ccccc5C)CC4)nc32)c1
InChIInChI=1S/C25H27N5OS/c1-16-7-6-9-20(15-16)30-23-22(18(3)28-30)32-25(27-23)29-13-11-19(12-14-29)26-24(31)21-10-5-4-8-17(21)2/h4-10,15,19H,11-14H2,1-3H3,(H,26,31)
InChIKeyFBTVHWPEKPCHDL-UHFFFAOYSA-N
MW445.59 g/mol
LogP4.81
Rot. Bonds4

About 2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide

2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide (PubChem CID 53198202) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide
PubChem CID53198202
Molecular FormulaC25H27N5OS
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC Name2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide
SMILESCc1cccc(-n2nc(C)c3sc(N4CCC(NC(=O)c5ccccc5C)CC4)nc32)c1
InChIInChI=1S/C25H27N5OS/c1-16-7-6-9-20(15-16)30-23-22(18(3)28-30)32-25(27-23)29-13-11-19(12-14-29)26-24(31)21-10-5-4-8-17(21)2/h4-10,15,19H,11-14H2,1-3H3,(H,26,31)
InChIKeyFBTVHWPEKPCHDL-UHFFFAOYSA-N
XLogP4.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide
CID 53198179
3-methyl-N-[1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]butanamide
CID 53198136
1-[4-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]-2-phenylpropan-1-one
CID 53198393
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
CID 136577669
N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123135
2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 47085916
2-methyl-N-[1-(2,5,6-trimethylpyrimidin-4-yl)piperidin-4-yl]benzamide
CID 136511678
2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide
CID 53198079
N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4015786
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
(3R)-N-cycloheptyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090712

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide (CID 53198202) is 2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide is Cc1cccc(-n2nc(C)c3sc(N4CCC(NC(=O)c5ccccc5C)CC4)nc32)c1.
What is the InChIKey of 2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide?
The InChIKey is FBTVHWPEKPCHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5OS/c1-16-7-6-9-20(15-16)30-23-22(18(3)28-30)32-25(27-23)29-13-11-19(12-14-29)26-24(31)21-10-5-4-8-17(21)2/h4-10,15,19H,11-14H2,1-3H3,(H,26,31).
What are the key properties of 2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide has a molecular weight of 445.59 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 53198202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).