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

C13H17N5O3S — CID 72902695

IUPACmethyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C13H17N5O3S/c1-7-10-11(17(2)16-7)15-13(22-10)18-5-4-14-12(20)8(18)6-9(19)21-3/h8H,4-6H2,1-3H3,(H,14,20)
InChIKeyFVCQTAOFQZZHPV-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.21
Rot. Bonds3

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

methyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate (PubChem CID 72902695) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is methyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate
PubChem CID72902695
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Namemethyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C13H17N5O3S/c1-7-10-11(17(2)16-7)15-13(22-10)18-5-4-14-12(20)8(18)6-9(19)21-3/h8H,4-6H2,1-3H3,(H,14,20)
InChIKeyFVCQTAOFQZZHPV-UHFFFAOYSA-N
XLogP0.21
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate (CID 72902695) is methyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1c1nc2c(s1)c(C)nn2C.
What is the InChIKey of methyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is FVCQTAOFQZZHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-7-10-11(17(2)16-7)15-13(22-10)18-5-4-14-12(20)8(18)6-9(19)21-3/h8H,4-6H2,1-3H3,(H,14,20).
What are the key properties of methyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate?
methyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 323.38 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 72902695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).