1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C15H22N6S — CID 72880699

IUPAC1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(Cc3cnn(C)c3)CC(C)C)sc12
InChIInChI=1S/C15H22N6S/c1-10(2)7-21(9-12-6-16-19(4)8-12)15-17-14-13(22-15)11(3)18-20(14)5/h6,8,10H,7,9H2,1-5H3
InChIKeyQGIURJGPYRBFNA-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.73
Rot. Bonds5

About 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72880699) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72880699
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC Name1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(Cc3cnn(C)c3)CC(C)C)sc12
InChIInChI=1S/C15H22N6S/c1-10(2)7-21(9-12-6-16-19(4)8-12)15-17-14-13(22-15)11(3)18-20(14)5/h6,8,10H,7,9H2,1-5H3
InChIKeyQGIURJGPYRBFNA-UHFFFAOYSA-N
XLogP2.73
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72900142
N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72839488
1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72914671
6-(1-Ethyl-3-methyl-1H-pyrazol-4-YL)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-B][1,3,4]thiadiazole
CID 19616212
6-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51044626
1,3-dimethyl-5-{4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl}-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72838156
N-cyclohexyl-1,3-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72847469
1,3-dimethyl-5-{4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72863137
N-[(1-isobutylpyrrolidin-3-yl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72883385
N-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N,N',N'-trimethylethane-1,2-diamine
CID 72897142
N-(2-methoxyethyl)-1,3-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72903936
1,3-dimethyl-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72854635

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72880699) is 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N(Cc3cnn(C)c3)CC(C)C)sc12.
What is the InChIKey of 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is QGIURJGPYRBFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-10(2)7-21(9-12-6-16-19(4)8-12)15-17-14-13(22-15)11(3)18-20(14)5/h6,8,10H,7,9H2,1-5H3.
What are the key properties of 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 318.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72880699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).