5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C11H8ClN3O2S — CID 51295628

IUPAC5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nncs1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C11H8ClN3O2S/c12-7-1-2-8-6(3-7)4-9(17-8)10(16)14-11-15-13-5-18-11/h1-3,5,9H,4H2,(H,14,15,16)
InChIKeyQRKBPPGZOMSYOU-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.13
Rot. Bonds2

About 5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51295628) has the molecular formula C11H8ClN3O2S and a molecular weight of 281.72 g/mol. Its IUPAC name is 5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51295628
Molecular FormulaC11H8ClN3O2S
Molecular Weight281.72 g/mol
Exact Mass281.00
IUPAC Name5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nncs1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C11H8ClN3O2S/c12-7-1-2-8-6(3-7)4-9(17-8)10(16)14-11-15-13-5-18-11/h1-3,5,9H,4H2,(H,14,15,16)
InChIKeyQRKBPPGZOMSYOU-UHFFFAOYSA-N
XLogP2.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51295628) is 5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1nncs1)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is QRKBPPGZOMSYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2S/c12-7-1-2-8-6(3-7)4-9(17-8)10(16)14-11-15-13-5-18-11/h1-3,5,9H,4H2,(H,14,15,16).
What are the key properties of 5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 281.72 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51295628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).