3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole

C12H17N3OS2 — CID 47151089

IUPAC3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCc1csc(SC(C)c2nc(C(C)(C)C)no2)n1
InChIInChI=1S/C12H17N3OS2/c1-7-6-17-11(13-7)18-8(2)9-14-10(15-16-9)12(3,4)5/h6,8H,1-5H3
InChIKeyBJVBKUUTYBVLKF-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.99
Rot. Bonds3

About 3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole

3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole (PubChem CID 47151089) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
PubChem CID47151089
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC Name3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCc1csc(SC(C)c2nc(C(C)(C)C)no2)n1
InChIInChI=1S/C12H17N3OS2/c1-7-6-17-11(13-7)18-8(2)9-14-10(15-16-9)12(3,4)5/h6,8H,1-5H3
InChIKeyBJVBKUUTYBVLKF-UHFFFAOYSA-N
XLogP3.99
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47155489
3-tert-butyl-5-[1-[[5-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 55578416
3-tert-butyl-5-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-1,2,4-oxadiazole
CID 42885951
5-[1-(4-bromophenyl)sulfanylethyl]-3-tert-butyl-1,2,4-oxadiazole
CID 55544989
3-tert-butyl-5-[1-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 42943634
3-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine
CID 55552302
2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 46634485
5-[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-3-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione
CID 25484610
3-tert-butyl-5-[1-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 47022288
2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole
CID 112786550
4-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]aniline
CID 61261675
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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole (CID 47151089) is 3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole is Cc1csc(SC(C)c2nc(C(C)(C)C)no2)n1.
What is the InChIKey of 3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The InChIKey is BJVBKUUTYBVLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c1-7-6-17-11(13-7)18-8(2)9-14-10(15-16-9)12(3,4)5/h6,8H,1-5H3.
What are the key properties of 3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole has a molecular weight of 283.42 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47151089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).