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

C13H13N3OS — CID 114734394

IUPAC5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cc3ccccc3o2)s1
InChIInChI=1S/C13H13N3OS/c1-2-7-14-13-16-15-12(18-13)11-8-9-5-3-4-6-10(9)17-11/h3-6,8H,2,7H2,1H3,(H,14,16)
InChIKeyNWMZMQIXEYODFO-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.77
Rot. Bonds4

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

5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 114734394) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID114734394
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cc3ccccc3o2)s1
InChIInChI=1S/C13H13N3OS/c1-2-7-14-13-16-15-12(18-13)11-8-9-5-3-4-6-10(9)17-11/h3-6,8H,2,7H2,1H3,(H,14,16)
InChIKeyNWMZMQIXEYODFO-UHFFFAOYSA-N
XLogP3.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-benzofuran-2-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 114734476
5-(5-fluoro-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734790
5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734601
N-(1-benzofuran-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 113240485
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
(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
N-[1-[4-(1-benzofuran-2-yl)phenyl]ethyl]propan-1-amine
CID 114732147
3-[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]chromen-2-one
CID 1121734
5-[2-(furan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82424522

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 114734394) is 5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2cc3ccccc3o2)s1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NWMZMQIXEYODFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-2-7-14-13-16-15-12(18-13)11-8-9-5-3-4-6-10(9)17-11/h3-6,8H,2,7H2,1H3,(H,14,16).
What are the key properties of 5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 259.33 g/mol, XLogP of 3.77, 4 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-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114734394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).