5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole

C12H17N3OS — CID 72903499

IUPAC5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C(C)C)sc1-c1nc(C(C)C)no1
InChIInChI=1S/C12H17N3OS/c1-6(2)10-14-11(16-15-10)9-8(5)13-12(17-9)7(3)4/h6-7H,1-5H3
InChIKeyUDJZKYMYEFSCQZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.75
Rot. Bonds3

About 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole

5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 72903499) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID72903499
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C(C)C)sc1-c1nc(C(C)C)no1
InChIInChI=1S/C12H17N3OS/c1-6(2)10-14-11(16-15-10)9-8(5)13-12(17-9)7(3)4/h6-7H,1-5H3
InChIKeyUDJZKYMYEFSCQZ-UHFFFAOYSA-N
XLogP3.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 72903499) is 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole is Cc1nc(C(C)C)sc1-c1nc(C(C)C)no1.
What is the InChIKey of 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is UDJZKYMYEFSCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-6(2)10-14-11(16-15-10)9-8(5)13-12(17-9)7(3)4/h6-7H,1-5H3.
What are the key properties of 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 251.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 72903499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).