1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine

C11H17N5S — CID 72919789

IUPAC1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC3CCNCC3)sc12
InChIInChI=1S/C11H17N5S/c1-7-9-10(16(2)15-7)14-11(17-9)13-8-3-5-12-6-4-8/h8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyPYPGPJIKBIABCD-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.50
Rot. Bonds2

About 1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72919789) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72919789
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC3CCNCC3)sc12
InChIInChI=1S/C11H17N5S/c1-7-9-10(16(2)15-7)14-11(17-9)13-8-3-5-12-6-4-8/h8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyPYPGPJIKBIABCD-UHFFFAOYSA-N
XLogP1.50
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72916508
1,3-dimethyl-1H,2H,5H-pyrazolo[3,4-d][1,3]thiazol-5-imine
CID 83667885
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
1-{3-[(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]propyl}piperidine-3-carboxamide
CID 72854350
1-{2-[(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]ethyl}piperidine-3-carboxamide
CID 72871250
1,3-dimethyl-N-[1-(1H-tetrazol-5-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72877630
4-(1,3-Dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one
CID 72878563
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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72919789) is 1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NC3CCNCC3)sc12.
What is the InChIKey of 1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is PYPGPJIKBIABCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7-9-10(16(2)15-7)14-11(17-9)13-8-3-5-12-6-4-8/h8,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 251.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-piperidin-4-ylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72919789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).