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

C14H11N3O2S — CID 711635

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C14H11N3O2S/c1-9-5-2-3-6-10(9)12(18)15-14-17-16-13(20-14)11-7-4-8-19-11/h2-8H,1H3,(H,15,17,18)
InChIKeyNZHOORHOKCUQIY-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.36
Rot. Bonds3

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

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide (PubChem CID 711635) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
PubChem CID711635
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C14H11N3O2S/c1-9-5-2-3-6-10(9)12(18)15-14-17-16-13(20-14)11-7-4-8-19-11/h2-8H,1H3,(H,15,17,18)
InChIKeyNZHOORHOKCUQIY-UHFFFAOYSA-N
XLogP3.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylbenzamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide (CID 711635) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide?
The InChIKey is NZHOORHOKCUQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-5-2-3-6-10(9)12(18)15-14-17-16-13(20-14)11-7-4-8-19-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide has a molecular weight of 285.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide is sourced from PubChem (CID 711635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).