(2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone

C25H27N5O4S — CID 53197196

IUPAC(2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)c5cccc(OC)c5OC)CC4)nc32)cc1
InChIInChI=1S/C25H27N5O4S/c1-16-22-23(30(27-16)17-8-10-18(32-2)11-9-17)26-25(35-22)29-14-12-28(13-15-29)24(31)19-6-5-7-20(33-3)21(19)34-4/h5-11H,12-15H2,1-4H3
InChIKeyCSUDGCAFOCYGIB-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.78
Rot. Bonds6

About (2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone

(2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone (PubChem CID 53197196) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
PubChem CID53197196
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC Name(2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)c5cccc(OC)c5OC)CC4)nc32)cc1
InChIInChI=1S/C25H27N5O4S/c1-16-22-23(30(27-16)17-8-10-18(32-2)11-9-17)26-25(35-22)29-14-12-28(13-15-29)24(31)19-6-5-7-20(33-3)21(19)34-4/h5-11H,12-15H2,1-4H3
InChIKeyCSUDGCAFOCYGIB-UHFFFAOYSA-N
XLogP3.78
TPSA81.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(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
(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
(2,3-dimethoxyphenyl)-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539012
2-ethoxy-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]ethanone
CID 53197159
[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 43982081
(2,3-dimethoxyphenyl)-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539764
(2-chlorophenyl)-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 53198360
3-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]propan-1-one
CID 53197165
(2,4-dimethylphenyl)-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197255
1-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]ethanone
CID 53197358
(4-ethoxyphenyl)-[4-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperazin-1-yl]methanone
CID 53197343
(3,4-dimethylphenyl)-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone
CID 53197229

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone (CID 53197196) is (2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone is COc1ccc(-n2nc(C)c3sc(N4CCN(C(=O)c5cccc(OC)c5OC)CC4)nc32)cc1.
What is the InChIKey of (2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone?
The InChIKey is CSUDGCAFOCYGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-16-22-23(30(27-16)17-8-10-18(32-2)11-9-17)26-25(35-22)29-14-12-28(13-15-29)24(31)19-6-5-7-20(33-3)21(19)34-4/h5-11H,12-15H2,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone has a molecular weight of 493.59 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[4-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53197196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).