1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C13H12FN3S2 — CID 81106993

IUPAC1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(-c2cc3ccc(F)cc3s2)s1
InChIInChI=1S/C13H12FN3S2/c1-2-9(15)12-16-17-13(19-12)11-5-7-3-4-8(14)6-10(7)18-11/h3-6,9H,2,15H2,1H3
InChIKeyACPPOHSSCJBOBO-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.97
Rot. Bonds3

About 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine

1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 81106993) has the molecular formula C13H12FN3S2 and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID81106993
Molecular FormulaC13H12FN3S2
Molecular Weight293.39 g/mol
Exact Mass293.05
IUPAC Name1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(-c2cc3ccc(F)cc3s2)s1
InChIInChI=1S/C13H12FN3S2/c1-2-9(15)12-16-17-13(19-12)11-5-7-3-4-8(14)6-10(7)18-11/h3-6,9H,2,15H2,1H3
InChIKeyACPPOHSSCJBOBO-UHFFFAOYSA-N
XLogP3.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 81106993) is 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is CCC(N)c1nnc(-c2cc3ccc(F)cc3s2)s1.
What is the InChIKey of 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is ACPPOHSSCJBOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S2/c1-2-9(15)12-16-17-13(19-12)11-5-7-3-4-8(14)6-10(7)18-11/h3-6,9H,2,15H2,1H3.
What are the key properties of 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 293.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 81106993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).