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

C12H9N3O2S2 — CID 9453152

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C12H9N3O2S2/c16-10(7-8-3-2-6-18-8)13-12-15-14-11(19-12)9-4-1-5-17-9/h1-6H,7H2,(H,13,15,16)
InChIKeyUOIIDDWDADXJQV-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.04
Rot. Bonds4

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

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 9453152) 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-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID9453152
Molecular FormulaC12H9N3O2S2
Molecular Weight291.36 g/mol
Exact Mass291.01
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C12H9N3O2S2/c16-10(7-8-3-2-6-18-8)13-12-15-14-11(19-12)9-4-1-5-17-9/h1-6H,7H2,(H,13,15,16)
InChIKeyUOIIDDWDADXJQV-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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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 9453152) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is UOIIDDWDADXJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S2/c16-10(7-8-3-2-6-18-8)13-12-15-14-11(19-12)9-4-1-5-17-9/h1-6H,7H2,(H,13,15,16).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-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-2-ylacetamide is sourced from PubChem (CID 9453152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).