5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C14H17N7OS2 — CID 133342848

IUPAC5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCSc1nc2ncnc(N3CCN(Cc4noc(C)n4)CC3)c2s1
InChIInChI=1S/C14H17N7OS2/c1-9-17-10(19-22-9)7-20-3-5-21(6-4-20)13-11-12(15-8-16-13)18-14(23-2)24-11/h8H,3-7H2,1-2H3
InChIKeyAXVPYMAACYOJJY-UHFFFAOYSA-N
MW363.47 g/mol
LogP1.82
Rot. Bonds4

About 5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 133342848) has the molecular formula C14H17N7OS2 and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID133342848
Molecular FormulaC14H17N7OS2
Molecular Weight363.47 g/mol
Exact Mass363.09
IUPAC Name5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCSc1nc2ncnc(N3CCN(Cc4noc(C)n4)CC3)c2s1
InChIInChI=1S/C14H17N7OS2/c1-9-17-10(19-22-9)7-20-3-5-21(6-4-20)13-11-12(15-8-16-13)18-14(23-2)24-11/h8H,3-7H2,1-2H3
InChIKeyAXVPYMAACYOJJY-UHFFFAOYSA-N
XLogP1.82
TPSA84.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 133342848) is 5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CSc1nc2ncnc(N3CCN(Cc4noc(C)n4)CC3)c2s1.
What is the InChIKey of 5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is AXVPYMAACYOJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7OS2/c1-9-17-10(19-22-9)7-20-3-5-21(6-4-20)13-11-12(15-8-16-13)18-14(23-2)24-11/h8H,3-7H2,1-2H3.
What are the key properties of 5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 363.47 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 133342848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).