1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole

C14H20N8S — CID 72845257

IUPAC1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCN(CCn4cncn4)CC3)sc12
InChIInChI=1S/C14H20N8S/c1-11-12-13(19(2)18-11)17-14(23-12)21-6-3-20(4-7-21)5-8-22-10-15-9-16-22/h9-10H,3-8H2,1-2H3
InChIKeyLYZMJHWDZDGSFD-UHFFFAOYSA-N
MW332.44 g/mol
LogP0.75
Rot. Bonds4

About 1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole

1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole (PubChem CID 72845257) has the molecular formula C14H20N8S and a molecular weight of 332.44 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
PubChem CID72845257
Molecular FormulaC14H20N8S
Molecular Weight332.44 g/mol
Exact Mass332.15
IUPAC Name1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCN(CCn4cncn4)CC3)sc12
InChIInChI=1S/C14H20N8S/c1-11-12-13(19(2)18-11)17-14(23-12)21-6-3-20(4-7-21)5-8-22-10-15-9-16-22/h9-10H,3-8H2,1-2H3
InChIKeyLYZMJHWDZDGSFD-UHFFFAOYSA-N
XLogP0.75
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole (CID 72845257) is 1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CCN(CCn4cncn4)CC3)sc12.
What is the InChIKey of 1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is LYZMJHWDZDGSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8S/c1-11-12-13(19(2)18-11)17-14(23-12)21-6-3-20(4-7-21)5-8-22-10-15-9-16-22/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 332.44 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72845257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).