2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole

C13H13N3OS2 — CID 110656638

IUPAC2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CCSC3=NCCS3)o2)cc1
InChIInChI=1S/C13H13N3OS2/c1-2-4-10(5-3-1)12-16-15-11(17-12)6-8-18-13-14-7-9-19-13/h1-5H,6-9H2
InChIKeyRJEVFTCXCPGASN-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.12
Rot. Bonds4

About 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole

2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 110656638) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID110656638
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CCSC3=NCCS3)o2)cc1
InChIInChI=1S/C13H13N3OS2/c1-2-4-10(5-3-1)12-16-15-11(17-12)6-8-18-13-14-7-9-19-13/h1-5H,6-9H2
InChIKeyRJEVFTCXCPGASN-UHFFFAOYSA-N
XLogP3.12
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-5-(2-pyridin-2-ylsulfanylethyl)-1,3,4-oxadiazole
CID 110656633
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653660
2-phenyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2106171
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]prop-2-en-1-amine
CID 110653635

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole (CID 110656638) is 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(CCSC3=NCCS3)o2)cc1.
What is the InChIKey of 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is RJEVFTCXCPGASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-2-4-10(5-3-1)12-16-15-11(17-12)6-8-18-13-14-7-9-19-13/h1-5H,6-9H2.
What are the key properties of 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 291.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 110656638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).