4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide

C24H24ClN5O2S — CID 53198179

IUPAC4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NC1CCN(c2nc3c(s2)c(C)nn3-c2ccccc2)CC1
InChIInChI=1S/C24H24ClN5O2S/c1-15-21-22(30(28-15)18-6-4-3-5-7-18)27-24(33-21)29-12-10-17(11-13-29)26-23(31)19-9-8-16(25)14-20(19)32-2/h3-9,14,17H,10-13H2,1-2H3,(H,26,31)
InChIKeyOGZIEQKUNZSCMS-UHFFFAOYSA-N
MW482.01 g/mol
LogP4.85
Rot. Bonds5

About 4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide

4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide (PubChem CID 53198179) has the molecular formula C24H24ClN5O2S and a molecular weight of 482.01 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide
PubChem CID53198179
Molecular FormulaC24H24ClN5O2S
Molecular Weight482.01 g/mol
Exact Mass481.13
IUPAC Name4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NC1CCN(c2nc3c(s2)c(C)nn3-c2ccccc2)CC1
InChIInChI=1S/C24H24ClN5O2S/c1-15-21-22(30(28-15)18-6-4-3-5-7-18)27-24(33-21)29-12-10-17(11-13-29)26-23(31)19-9-8-16(25)14-20(19)32-2/h3-9,14,17H,10-13H2,1-2H3,(H,26,31)
InChIKeyOGZIEQKUNZSCMS-UHFFFAOYSA-N
XLogP4.85
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.01
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[1-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]benzamide
CID 53198202
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
2-(4-chlorophenyl)-N-[1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidin-4-yl]acetamide
CID 53198079
1-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]ethanone
CID 53197358
(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-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-chloro-2-methoxybenzamide
CID 50847664
(2-methoxyphenyl)-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 53198334
(3R)-N-cyclohexyl-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090637
(2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197196
(3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090761
N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123135
(3S)-1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-propylpiperidine-3-carboxamide
CID 95090664

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide (CID 53198179) is 4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide is COc1cc(Cl)ccc1C(=O)NC1CCN(c2nc3c(s2)c(C)nn3-c2ccccc2)CC1.
What is the InChIKey of 4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide?
The InChIKey is OGZIEQKUNZSCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2S/c1-15-21-22(30(28-15)18-6-4-3-5-7-18)27-24(33-21)29-12-10-17(11-13-29)26-23(31)19-9-8-16(25)14-20(19)32-2/h3-9,14,17H,10-13H2,1-2H3,(H,26,31).
What are the key properties of 4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide?
4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide has a molecular weight of 482.01 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-[1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 53198179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).