5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

C13H10N4O3S2 — CID 121030121

IUPAC5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESC=CCSc1nnc(NC(=O)c2cc(-c3ccco3)on2)s1
InChIInChI=1S/C13H10N4O3S2/c1-2-6-21-13-16-15-12(22-13)14-11(18)8-7-10(20-17-8)9-4-3-5-19-9/h2-5,7H,1,6H2,(H,14,15,18)
InChIKeyJKKLDKLBXZMDPC-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.32
Rot. Bonds6

About 5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 121030121) has the molecular formula C13H10N4O3S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID121030121
Molecular FormulaC13H10N4O3S2
Molecular Weight334.38 g/mol
Exact Mass334.02
IUPAC Name5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESC=CCSc1nnc(NC(=O)c2cc(-c3ccco3)on2)s1
InChIInChI=1S/C13H10N4O3S2/c1-2-6-21-13-16-15-12(22-13)14-11(18)8-7-10(20-17-8)9-4-3-5-19-9/h2-5,7H,1,6H2,(H,14,15,18)
InChIKeyJKKLDKLBXZMDPC-UHFFFAOYSA-N
XLogP3.32
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 121030178
N-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 121030157
N-[5-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 121030159
ethyl 4-[[2-[[5-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 121030171
3,4-dimethyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8697604
2-(2-chlorophenyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 8697316
4-tert-butyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 44791738
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 47138249
3-cyano-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8697306
5-bromo-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 18075092
5-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
5-(3,4-dimethylphenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011671

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 121030121) is 5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is C=CCSc1nnc(NC(=O)c2cc(-c3ccco3)on2)s1.
What is the InChIKey of 5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is JKKLDKLBXZMDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S2/c1-2-6-21-13-16-15-12(22-13)14-11(18)8-7-10(20-17-8)9-4-3-5-19-9/h2-5,7H,1,6H2,(H,14,15,18).
What are the key properties of 5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121030121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).