methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate

C14H19N5O3S — CID 72843323

IUPACmethyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2nc3c(s2)c(C)nn3C)C(C)C1=O
InChIInChI=1S/C14H19N5O3S/c1-8-11-12(17(3)16-8)15-14(23-11)19-6-5-18(7-10(20)22-4)13(21)9(19)2/h9H,5-7H2,1-4H3
InChIKeyAYTPLBCGIFNXAA-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.55
Rot. Bonds3

About methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate

methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate (PubChem CID 72843323) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate
PubChem CID72843323
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Namemethyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2nc3c(s2)c(C)nn3C)C(C)C1=O
InChIInChI=1S/C14H19N5O3S/c1-8-11-12(17(3)16-8)15-14(23-11)19-6-5-18(7-10(20)22-4)13(21)9(19)2/h9H,5-7H2,1-4H3
InChIKeyAYTPLBCGIFNXAA-UHFFFAOYSA-N
XLogP0.55
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate (CID 72843323) is methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate is COC(=O)CN1CCN(c2nc3c(s2)c(C)nn3C)C(C)C1=O.
What is the InChIKey of methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate?
The InChIKey is AYTPLBCGIFNXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-8-11-12(17(3)16-8)15-14(23-11)19-6-5-18(7-10(20)22-4)13(21)9(19)2/h9H,5-7H2,1-4H3.
What are the key properties of methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate?
methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate has a molecular weight of 337.41 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-methyl-2-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 72843323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).