N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide

C12H9N3O2S2 — CID 47014263

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C12H9N3O2S2/c16-10(6-8-3-5-18-7-8)13-12-15-14-11(19-12)9-2-1-4-17-9/h1-5,7H,6H2,(H,13,15,16)
InChIKeyJWIWNDASQZYGSD-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.04
Rot. Bonds4

About N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide (PubChem CID 47014263) has the molecular formula C12H9N3O2S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide
PubChem CID47014263
Molecular FormulaC12H9N3O2S2
Molecular Weight291.36 g/mol
Exact Mass291.01
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C12H9N3O2S2/c16-10(6-8-3-5-18-7-8)13-12-15-14-11(19-12)9-2-1-4-17-9/h1-5,7H,6H2,(H,13,15,16)
InChIKeyJWIWNDASQZYGSD-UHFFFAOYSA-N
XLogP3.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 811287
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 711635
2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
CID 1224004
N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 647275
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 872671
N-[5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 2104440
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 2534314
(E)-3-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 5770545
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 744054
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 597406
N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-2-phenylbutanamide
CID 665760
N-(5-Furan-2-yl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 646084

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide (CID 47014263) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide?
The InChIKey is JWIWNDASQZYGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S2/c16-10(6-8-3-5-18-7-8)13-12-15-14-11(19-12)9-2-1-4-17-9/h1-5,7H,6H2,(H,13,15,16).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide has a molecular weight of 291.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 47014263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).