3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C12H17N5OS — CID 35192541

IUPAC3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C12H17N5OS/c1-9(11-14-10(2)15-18-11)16-4-6-17(7-5-16)12-13-3-8-19-12/h3,8-9H,4-7H2,1-2H3/t9-/m1/s1
InChIKeyXBVZGEJXDKZCSI-SECBINFHSA-N
MW279.37 g/mol
LogP1.72
Rot. Bonds3

About 3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 35192541) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID35192541
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C12H17N5OS/c1-9(11-14-10(2)15-18-11)16-4-6-17(7-5-16)12-13-3-8-19-12/h3,8-9H,4-7H2,1-2H3/t9-/m1/s1
InChIKeyXBVZGEJXDKZCSI-SECBINFHSA-N
XLogP1.72
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 35192541) is 3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1noc([C@@H](C)N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is XBVZGEJXDKZCSI-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9(11-14-10(2)15-18-11)16-4-6-17(7-5-16)12-13-3-8-19-12/h3,8-9H,4-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 279.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 35192541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).