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

C10H8N2O3S2 — CID 79888768

IUPACmethyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate
SMILESCOC(=O)C=CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H8N2O3S2/c1-14-8(13)4-6-17-10-12-11-9(15-10)7-3-2-5-16-7/h2-6H,1H3
InChIKeyNIZCVJAAFVIQTR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.58
Rot. Bonds4

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

methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate (PubChem CID 79888768) has the molecular formula C10H8N2O3S2 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate
PubChem CID79888768
Molecular FormulaC10H8N2O3S2
Molecular Weight268.32 g/mol
Exact Mass268.00
IUPAC Namemethyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate
SMILESCOC(=O)C=CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H8N2O3S2/c1-14-8(13)4-6-17-10-12-11-9(15-10)7-3-2-5-16-7/h2-6H,1H3
InChIKeyNIZCVJAAFVIQTR-UHFFFAOYSA-N
XLogP2.58
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.58
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

methyl 2,2-dimethyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 79629245
methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
CID 55017257
(2R)-N-(2-methoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7981748
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanehydrazide
CID 63591351
N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981720
methyl 4-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2552749
N-(2-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981797
(2S)-N-(2-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2592979
1-(4-propan-2-ylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 38924044
N-methyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582336
methyl 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 7981721
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2592868

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate?
The IUPAC name of methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate (CID 79888768) is methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate?
The canonical SMILES for methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate is COC(=O)C=CSc1nnc(-c2cccs2)o1.
What is the InChIKey of methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate?
The InChIKey is NIZCVJAAFVIQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S2/c1-14-8(13)4-6-17-10-12-11-9(15-10)7-3-2-5-16-7/h2-6H,1H3.
What are the key properties of methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate?
methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate has a molecular weight of 268.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate is sourced from PubChem (CID 79888768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).