5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole

C19H24N4O2S — CID 97283268

IUPAC5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
SMILESCOc1cccc(OC[C@@H]2CCCN(c3nc4c(s3)c(C)nn4C)C2)c1
InChIInChI=1S/C19H24N4O2S/c1-13-17-18(22(2)21-13)20-19(26-17)23-9-5-6-14(11-23)12-25-16-8-4-7-15(10-16)24-3/h4,7-8,10,14H,5-6,9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyFUPMQUKMWKQOJY-CQSZACIVSA-N
MW372.49 g/mol
LogP3.64
Rot. Bonds5

About 5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole

5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole (PubChem CID 97283268) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
PubChem CID97283268
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
SMILESCOc1cccc(OC[C@@H]2CCCN(c3nc4c(s3)c(C)nn4C)C2)c1
InChIInChI=1S/C19H24N4O2S/c1-13-17-18(22(2)21-13)20-19(26-17)23-9-5-6-14(11-23)12-25-16-8-4-7-15(10-16)24-3/h4,7-8,10,14H,5-6,9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyFUPMQUKMWKQOJY-CQSZACIVSA-N
XLogP3.64
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole with MolForge

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Related Compounds

5-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 72922021
2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
CID 70780919
6-cyclopropyl-8-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 176506394
N-[(3-methoxyphenyl)methyl]-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123022
5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 72918037
2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 70722168
6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 163354942
1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 97272819
[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol
CID 97286238
1,3-dimethyl-5-(4-pyridin-3-yloxypiperidin-1-yl)pyrazolo[5,4-d][1,3]thiazole
CID 72881849
(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
CID 97437728
1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one
CID 72838541

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole (CID 97283268) is 5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole is COc1cccc(OC[C@@H]2CCCN(c3nc4c(s3)c(C)nn4C)C2)c1.
What is the InChIKey of 5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The InChIKey is FUPMQUKMWKQOJY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13-17-18(22(2)21-13)20-19(26-17)23-9-5-6-14(11-23)12-25-16-8-4-7-15(10-16)24-3/h4,7-8,10,14H,5-6,9,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole has a molecular weight of 372.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 97283268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).