1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole

C14H17N7S — CID 72927694

IUPAC1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCN(c4cnccn4)CC3)sc12
InChIInChI=1S/C14H17N7S/c1-10-12-13(19(2)18-10)17-14(22-12)21-7-5-20(6-8-21)11-9-15-3-4-16-11/h3-4,9H,5-8H2,1-2H3
InChIKeyAXWQBTXUDPDMGI-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.45
Rot. Bonds2

About 1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole

1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole (PubChem CID 72927694) has the molecular formula C14H17N7S and a molecular weight of 315.41 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole
PubChem CID72927694
Molecular FormulaC14H17N7S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCN(c4cnccn4)CC3)sc12
InChIInChI=1S/C14H17N7S/c1-10-12-13(19(2)18-10)17-14(22-12)21-7-5-20(6-8-21)11-9-15-3-4-16-11/h3-4,9H,5-8H2,1-2H3
InChIKeyAXWQBTXUDPDMGI-UHFFFAOYSA-N
XLogP1.45
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole (CID 72927694) is 1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CCN(c4cnccn4)CC3)sc12.
What is the InChIKey of 1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is AXWQBTXUDPDMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7S/c1-10-12-13(19(2)18-10)17-14(22-12)21-7-5-20(6-8-21)11-9-15-3-4-16-11/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 315.41 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72927694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).