(3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide

C25H27N5OS — CID 95090887

IUPAC(3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccccc3)C2)cc1
InChIInChI=1S/C25H27N5OS/c1-17-10-12-19(13-11-17)15-26-24(31)20-7-6-14-29(16-20)25-27-23-22(32-25)18(2)28-30(23)21-8-4-3-5-9-21/h3-5,8-13,20H,6-7,14-16H2,1-2H3,(H,26,31)/t20-/m0/s1
InChIKeyRCRVLYFIVRNZOT-FQEVSTJZSA-N
MW445.59 g/mol
LogP4.63
Rot. Bonds5

About (3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide

(3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide (PubChem CID 95090887) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is (3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
PubChem CID95090887
Molecular FormulaC25H27N5OS
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC Name(3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccccc3)C2)cc1
InChIInChI=1S/C25H27N5OS/c1-17-10-12-19(13-11-17)15-26-24(31)20-7-6-14-29(16-20)25-27-23-22(32-25)18(2)28-30(23)21-8-4-3-5-9-21/h3-5,8-13,20H,6-7,14-16H2,1-2H3,(H,26,31)/t20-/m0/s1
InChIKeyRCRVLYFIVRNZOT-FQEVSTJZSA-N
XLogP4.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[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-fluorophenyl)methyl]-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090838
(3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95091038
1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 53123195
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
CID 95090939
N-[(3-methoxyphenyl)methyl]-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123022
(3R)-N-cycloheptyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090712
1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53123028
(3R)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95090702
(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-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 95090745

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide (CID 95090887) is (3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccccc3)C2)cc1.
What is the InChIKey of (3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide?
The InChIKey is RCRVLYFIVRNZOT-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27N5OS/c1-17-10-12-19(13-11-17)15-26-24(31)20-7-6-14-29(16-20)25-27-23-22(32-25)18(2)28-30(23)21-8-4-3-5-9-21/h3-5,8-13,20H,6-7,14-16H2,1-2H3,(H,26,31)/t20-/m0/s1.
What are the key properties of (3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide?
(3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95090887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).