N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide

C16H17N3O2S — CID 136518790

IUPACN-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1nnc(C=Cc2ccco2)s1)C1C2CCCCC21
InChIInChI=1S/C16H17N3O2S/c20-15(14-11-5-1-2-6-12(11)14)17-16-19-18-13(22-16)8-7-10-4-3-9-21-10/h3-4,7-9,11-12,14H,1-2,5-6H2,(H,17,19,20)
InChIKeyVCSUILHFFPRRIT-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.68
Rot. Bonds4

About N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide

N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 136518790) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID136518790
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1nnc(C=Cc2ccco2)s1)C1C2CCCCC21
InChIInChI=1S/C16H17N3O2S/c20-15(14-11-5-1-2-6-12(11)14)17-16-19-18-13(22-16)8-7-10-4-3-9-21-10/h3-4,7-9,11-12,14H,1-2,5-6H2,(H,17,19,20)
InChIKeyVCSUILHFFPRRIT-UHFFFAOYSA-N
XLogP3.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide with MolForge

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 4812428
N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 91943716
N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 166190946
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 4131067
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 166190944
(E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 903368
3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide
CID 75395390
3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941530
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 81483200
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide (CID 136518790) is N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide is O=C(Nc1nnc(C=Cc2ccco2)s1)C1C2CCCCC21.
What is the InChIKey of N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is VCSUILHFFPRRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15(14-11-5-1-2-6-12(11)14)17-16-19-18-13(22-16)8-7-10-4-3-9-21-10/h3-4,7-9,11-12,14H,1-2,5-6H2,(H,17,19,20).
What are the key properties of N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 136518790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).