4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine

C14H22N4OS — CID 72923022

IUPAC4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine
SMILESCc1nn(C)c2nc(N3CCOCC3CC(C)C)sc12
InChIInChI=1S/C14H22N4OS/c1-9(2)7-11-8-19-6-5-18(11)14-15-13-12(20-14)10(3)16-17(13)4/h9,11H,5-8H2,1-4H3
InChIKeyXZOQGNYZAWYZRZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.59
Rot. Bonds3

About 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine

4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine (PubChem CID 72923022) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine
PubChem CID72923022
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine
SMILESCc1nn(C)c2nc(N3CCOCC3CC(C)C)sc12
InChIInChI=1S/C14H22N4OS/c1-9(2)7-11-8-19-6-5-18(11)14-15-13-12(20-14)10(3)16-17(13)4/h9,11H,5-8H2,1-4H3
InChIKeyXZOQGNYZAWYZRZ-UHFFFAOYSA-N
XLogP2.59
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,1,3-trimethyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97274513
3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine
CID 133485535
N-[[2-(3-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767997
3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 164637085
5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 72917691
[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 72925067
(3S)-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 97285055
(3R)-3-butyl-4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one
CID 97269240
(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
CID 97437728
1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97269367
3-(2-methylpropyl)-4-propan-2-ylmorpholine
CID 58279606
N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105830

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine?
The IUPAC name of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine (CID 72923022) is 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine.
What is the SMILES notation for 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine?
The canonical SMILES for 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine is Cc1nn(C)c2nc(N3CCOCC3CC(C)C)sc12.
What is the InChIKey of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine?
The InChIKey is XZOQGNYZAWYZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9(2)7-11-8-19-6-5-18(11)14-15-13-12(20-14)10(3)16-17(13)4/h9,11H,5-8H2,1-4H3.
What are the key properties of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine?
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine has a molecular weight of 294.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine is sourced from PubChem (CID 72923022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).