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

C11H15N3OS2 — CID 47155489

IUPAC5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1csc(SC(C)c2nc(C(C)C)no2)n1
InChIInChI=1S/C11H15N3OS2/c1-6(2)9-13-10(15-14-9)8(4)17-11-12-7(3)5-16-11/h5-6,8H,1-4H3
InChIKeyHAOWLUMXMLPSKZ-UHFFFAOYSA-N
MW269.40 g/mol
LogP3.81
Rot. Bonds4

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

5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 47155489) has the molecular formula C11H15N3OS2 and a molecular weight of 269.40 g/mol. Its IUPAC name is 5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID47155489
Molecular FormulaC11H15N3OS2
Molecular Weight269.40 g/mol
Exact Mass269.07
IUPAC Name5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1csc(SC(C)c2nc(C(C)C)no2)n1
InChIInChI=1S/C11H15N3OS2/c1-6(2)9-13-10(15-14-9)8(4)17-11-12-7(3)5-16-11/h5-6,8H,1-4H3
InChIKeyHAOWLUMXMLPSKZ-UHFFFAOYSA-N
XLogP3.81
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-tert-butyl-5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 47151089
N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 43054798
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
CID 115742698
N-(3,4-dimethylphenyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46567666
2-[[5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 43054789
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
5-[1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 42948014
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 64897892
5-[(1S)-1-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 25349236
5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175
4-methyl-2-[(3-propan-2-yl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole
CID 18708503

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 47155489) is 5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1csc(SC(C)c2nc(C(C)C)no2)n1.
What is the InChIKey of 5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is HAOWLUMXMLPSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-6(2)9-13-10(15-14-9)8(4)17-11-12-7(3)5-16-11/h5-6,8H,1-4H3.
What are the key properties of 5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 269.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 47155489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).