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

C18H21N5OS — CID 72919041

IUPAC4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one
SMILESCc1nn(C)c2nc(N3CCN(CCc4ccccc4)C(=O)C3)sc12
InChIInChI=1S/C18H21N5OS/c1-13-16-17(21(2)20-13)19-18(25-16)23-11-10-22(15(24)12-23)9-8-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChIKeyRTDBMCRMLMXTEB-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.23
Rot. Bonds4

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

4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one (PubChem CID 72919041) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one
PubChem CID72919041
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one
SMILESCc1nn(C)c2nc(N3CCN(CCc4ccccc4)C(=O)C3)sc12
InChIInChI=1S/C18H21N5OS/c1-13-16-17(21(2)20-13)19-18(25-16)23-11-10-22(15(24)12-23)9-8-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChIKeyRTDBMCRMLMXTEB-UHFFFAOYSA-N
XLogP2.23
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one?
The IUPAC name of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one (CID 72919041) is 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one is Cc1nn(C)c2nc(N3CCN(CCc4ccccc4)C(=O)C3)sc12.
What is the InChIKey of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one?
The InChIKey is RTDBMCRMLMXTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-13-16-17(21(2)20-13)19-18(25-16)23-11-10-22(15(24)12-23)9-8-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3.
What are the key properties of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one?
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one has a molecular weight of 355.47 g/mol, XLogP of 2.23, 4 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)-1-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 72919041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).