2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C14H17N5O2S2 — CID 43054338

IUPAC2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(C)c(-c2nnc(SCc3nc(C(C)(C)C)no3)o2)s1
InChIInChI=1S/C14H17N5O2S2/c1-7-10(23-8(2)15-7)11-17-18-13(20-11)22-6-9-16-12(19-21-9)14(3,4)5/h6H2,1-5H3
InChIKeyCNZCZBACAZYHAC-UHFFFAOYSA-N
MW351.46 g/mol
LogP3.78
Rot. Bonds4

About 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 43054338) has the molecular formula C14H17N5O2S2 and a molecular weight of 351.46 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID43054338
Molecular FormulaC14H17N5O2S2
Molecular Weight351.46 g/mol
Exact Mass351.08
IUPAC Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(C)c(-c2nnc(SCc3nc(C(C)(C)C)no3)o2)s1
InChIInChI=1S/C14H17N5O2S2/c1-7-10(23-8(2)15-7)11-17-18-13(20-11)22-6-9-16-12(19-21-9)14(3,4)5/h6H2,1-5H3
InChIKeyCNZCZBACAZYHAC-UHFFFAOYSA-N
XLogP3.78
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 43052842
2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 24652971
2-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 46543167
2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-(2-propan-2-yloxyethylsulfanyl)-1,3,4-oxadiazole
CID 75414072
3-tert-butyl-5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47154950
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 55546866
2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 71852391
1-(azocan-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 43047079
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 39048977
2-[(2-chloro-7-methylsulfanylquinolin-3-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 24652952
2-[2-(4-chlorophenoxy)ethylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 46531368
2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 46531370

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 43054338) is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1nc(C)c(-c2nnc(SCc3nc(C(C)(C)C)no3)o2)s1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is CNZCZBACAZYHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S2/c1-7-10(23-8(2)15-7)11-17-18-13(20-11)22-6-9-16-12(19-21-9)14(3,4)5/h6H2,1-5H3.
What are the key properties of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 351.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 43054338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).