4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one

C13H19N5OS — CID 72878563

IUPAC4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one
SMILESCc1nn(C)c2nc(N3CCNC(=O)C3C(C)C)sc12
InChIInChI=1S/C13H19N5OS/c1-7(2)9-12(19)14-5-6-18(9)13-15-11-10(20-13)8(3)16-17(11)4/h7,9H,5-6H2,1-4H3,(H,14,19)
InChIKeyJWBQDLBAOLMFPL-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.30
Rot. Bonds2

About 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one

4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one (PubChem CID 72878563) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one
PubChem CID72878563
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one
SMILESCc1nn(C)c2nc(N3CCNC(=O)C3C(C)C)sc12
InChIInChI=1S/C13H19N5OS/c1-7(2)9-12(19)14-5-6-18(9)13-15-11-10(20-13)8(3)16-17(11)4/h7,9H,5-6H2,1-4H3,(H,14,19)
InChIKeyJWBQDLBAOLMFPL-UHFFFAOYSA-N
XLogP1.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one with MolForge

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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
methyl [4-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate
CID 72843323
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
methyl [1-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate
CID 72902695
1,3-dimethyl-N-4-piperidinyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine dihydrochloride
CID 72919789
5-{1-[(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]ethyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 136232356
9-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 72862125
3-butyl-4-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-1-methylpiperazin-2-one
CID 72843673
1,3-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72851411
4-{3-[(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)amino]propyl}piperazin-2-one
CID 72888494
1-{2-[(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)(methyl)amino]ethyl}piperidin-2-one
CID 72860611

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one (CID 72878563) is 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one is Cc1nn(C)c2nc(N3CCNC(=O)C3C(C)C)sc12.
What is the InChIKey of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one?
The InChIKey is JWBQDLBAOLMFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-7(2)9-12(19)14-5-6-18(9)13-15-11-10(20-13)8(3)16-17(11)4/h7,9H,5-6H2,1-4H3,(H,14,19).
What are the key properties of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one?
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-propan-2-ylpiperazin-2-one has a molecular weight of 293.40 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 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-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 72878563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).