(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate

C10H7N2O3S2- — CID 8706424

IUPAC(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate
SMILESCc1nnc(S/C(=C/c2cccs2)C(=O)[O-])o1
InChIInChI=1S/C10H8N2O3S2/c1-6-11-12-10(15-6)17-8(9(13)14)5-7-3-2-4-16-7/h2-5H,1H3,(H,13,14)/p-1/b8-5+
InChIKeyZUVAZAYDKXSNAB-VMPITWQZSA-M
MW267.31 g/mol
LogP1.32
Rot. Bonds4

About (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate

(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate (PubChem CID 8706424) has the molecular formula C10H7N2O3S2- and a molecular weight of 267.31 g/mol. Its IUPAC name is (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate
PubChem CID8706424
Molecular FormulaC10H7N2O3S2-
Molecular Weight267.31 g/mol
Exact Mass266.99
IUPAC Name(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate
SMILESCc1nnc(S/C(=C/c2cccs2)C(=O)[O-])o1
InChIInChI=1S/C10H8N2O3S2/c1-6-11-12-10(15-6)17-8(9(13)14)5-7-3-2-4-16-7/h2-5H,1H3,(H,13,14)/p-1/b8-5+
InChIKeyZUVAZAYDKXSNAB-VMPITWQZSA-M
XLogP1.32
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-methylphenyl)prop-2-enoate
CID 8706478
4-[(Z)-2-carboxylato-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethenyl]benzoate
CID 8706619
(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enoate
CID 8706532
(E)-3-(1H-indol-3-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate
CID 8706410
(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoate
CID 8706291
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate
CID 8706233
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate
CID 8706267
(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate
CID 8706427
4-[5-[(Z)-2-carboxylato-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethenyl]furan-2-yl]-3-methylbenzoate
CID 8706622
4-[(Z)-2-carboxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethenyl]phenolate
CID 54716101
(Z)-3-[2-[(4-cyanophenyl)methoxy]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate
CID 8706694
(Z)-3-[4-[(4-cyanophenyl)methoxy]phenyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate
CID 8706719

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate (CID 8706424) is (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate is Cc1nnc(S/C(=C/c2cccs2)C(=O)[O-])o1.
What is the InChIKey of (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate?
The InChIKey is ZUVAZAYDKXSNAB-VMPITWQZSA-M. The full InChI is InChI=1S/C10H8N2O3S2/c1-6-11-12-10(15-6)17-8(9(13)14)5-7-3-2-4-16-7/h2-5H,1H3,(H,13,14)/p-1/b8-5+.
What are the key properties of (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate?
(E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate has a molecular weight of 267.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 8706424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).