5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole

C17H21N5OS — CID 72918037

IUPAC5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
SMILESCOc1ccccc1N1CCN(c2nc3c(s2)c(C)nn3C)CC1
InChIInChI=1S/C17H21N5OS/c1-12-15-16(20(2)19-12)18-17(24-15)22-10-8-21(9-11-22)13-6-4-5-7-14(13)23-3/h4-7H,8-11H2,1-3H3
InChIKeyOPPZITXRVBTJRB-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.67
Rot. Bonds3

About 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole

5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole (PubChem CID 72918037) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
PubChem CID72918037
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
SMILESCOc1ccccc1N1CCN(c2nc3c(s2)c(C)nn3C)CC1
InChIInChI=1S/C17H21N5OS/c1-12-15-16(20(2)19-12)18-17(24-15)22-10-8-21(9-11-22)13-6-4-5-7-14(13)23-3/h4-7H,8-11H2,1-3H3
InChIKeyOPPZITXRVBTJRB-UHFFFAOYSA-N
XLogP2.67
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083473
1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 72889738
[4-(2-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 42153662
1,3-dimethyl-5-(4-pyridin-3-yloxypiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole
CID 72881849
5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97283268
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one
CID 72919041
2-[4-(2-fluorophenyl)piperazin-1-yl]-4,7-dimethoxy-1,3-benzothiazole
CID 121081717
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 68909460
(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-(2-methoxyphenyl)piperazin-1-yl]-6-methylsulfonyl-1,3-benzothiazole
CID 121083710
8-[4-(2-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82555302

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole (CID 72918037) is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole is COc1ccccc1N1CCN(c2nc3c(s2)c(C)nn3C)CC1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The InChIKey is OPPZITXRVBTJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-15-16(20(2)19-12)18-17(24-15)22-10-8-21(9-11-22)13-6-4-5-7-14(13)23-3/h4-7H,8-11H2,1-3H3.
What are the key properties of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole has a molecular weight of 343.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72918037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).