5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine

C12H11N3OS — CID 114734476

IUPAC5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cc3ccccc3o2)s1
InChIInChI=1S/C12H11N3OS/c1-2-13-12-15-14-11(17-12)10-7-8-5-3-4-6-9(8)16-10/h3-7H,2H2,1H3,(H,13,15)
InChIKeyMPVGRKOWKMXZIP-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.38
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine

5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 114734476) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID114734476
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cc3ccccc3o2)s1
InChIInChI=1S/C12H11N3OS/c1-2-13-12-15-14-11(17-12)10-7-8-5-3-4-6-9(8)16-10/h3-7H,2H2,1H3,(H,13,15)
InChIKeyMPVGRKOWKMXZIP-UHFFFAOYSA-N
XLogP3.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734394
N-(1-benzofuran-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 113240485
5-(5-fluoro-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734790
5-(1-benzofuran-2-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine
CID 101436163
N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
CID 11013568
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734601
2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine
CID 55133578
(2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 99834661
ethyl 3-[2-[[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]amino]-4,5-dihydroimidazol-1-yl]propanoate
CID 101436173
6-(1-benzofuran-2-yl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3161201
6-(1-benzofuran-2-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102754018

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine (CID 114734476) is 5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2cc3ccccc3o2)s1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MPVGRKOWKMXZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-13-12-15-14-11(17-12)10-7-8-5-3-4-6-9(8)16-10/h3-7H,2H2,1H3,(H,13,15).
What are the key properties of 5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 245.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114734476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).