1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C6H8N4S — CID 83667885

IUPAC1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N)sc12
InChIInChI=1S/C6H8N4S/c1-3-4-5(10(2)9-3)8-6(7)11-4/h1-2H3,(H2,7,8)
InChIKeyYMHIONBCJZUOKV-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.92
Rot. Bonds

About 1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 83667885) has the molecular formula C6H8N4S and a molecular weight of 168.22 g/mol. Its IUPAC name is 1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID83667885
Molecular FormulaC6H8N4S
Molecular Weight168.22 g/mol
Exact Mass168.05
IUPAC Name1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N)sc12
InChIInChI=1S/C6H8N4S/c1-3-4-5(10(2)9-3)8-6(7)11-4/h1-2H3,(H2,7,8)
InChIKeyYMHIONBCJZUOKV-UHFFFAOYSA-N
XLogP0.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Dimethyl-7-thia-1,3,4,9,10-pentazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene
CID 15836914
1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72843484
1,3-dimethyl-N-(2-propoxyethyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72845845
N,N-bis(2-methoxyethyl)-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72851027
1,3-dimethyl-N-[1-(1H-tetrazol-5-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72877630
N-cyclopentyl-N'-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 72881792
N-[(1-isobutylpyrrolidin-3-yl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72883385
N-(3-ethoxypropyl)-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72883953
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-(ethylthio)ethyl]-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72898138
1,3-dimethyl-N-4-piperidinyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine dihydrochloride
CID 72919789
N-cyclopentyl-N-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 72923328

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 83667885) is 1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N)sc12.
What is the InChIKey of 1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is YMHIONBCJZUOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c1-3-4-5(10(2)9-3)8-6(7)11-4/h1-2H3,(H2,7,8).
What are the key properties of 1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 168.22 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 83667885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).