(4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone

C24H25N5O2S — CID 53197343

IUPAC(4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3nc4c(s3)c(C)nn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N5O2S/c1-3-31-20-11-9-18(10-12-20)23(30)27-13-15-28(16-14-27)24-25-22-21(32-24)17(2)26-29(22)19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3
InChIKeyJUDFAXONUDUKLL-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.15
Rot. Bonds5

About (4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone

(4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 53197343) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone
PubChem CID53197343
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name(4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3nc4c(s3)c(C)nn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N5O2S/c1-3-31-20-11-9-18(10-12-20)23(30)27-13-15-28(16-14-27)24-25-22-21(32-24)17(2)26-29(22)19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3
InChIKeyJUDFAXONUDUKLL-UHFFFAOYSA-N
XLogP4.15
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]ethanone
CID 53197358
2-ethoxy-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]ethanone
CID 53197159
(3,4-dimethylphenyl)-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197229
(3,4-difluorophenyl)-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197301
(4-butoxyphenyl)-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90506637
(2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197196
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 7539538
[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 41074391
(2,4-dimethylphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 53198249
(3,4-difluorophenyl)-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 53198297
(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
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone (CID 53197343) is (4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(c3nc4c(s3)c(C)nn4-c3ccccc3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is JUDFAXONUDUKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-3-31-20-11-9-18(10-12-20)23(30)27-13-15-28(16-14-27)24-25-22-21(32-24)17(2)26-29(22)19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone?
(4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 447.56 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53197343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).