1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C9H10ClN3OS — CID 106690479

IUPAC1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(-c2ccc(Cl)o2)s1
InChIInChI=1S/C9H10ClN3OS/c1-2-5(11)8-12-13-9(15-8)6-3-4-7(10)14-6/h3-5H,2,11H2,1H3
InChIKeyKZNRDIVWHIMXEF-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.86
Rot. Bonds3

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

1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 106690479) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID106690479
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(-c2ccc(Cl)o2)s1
InChIInChI=1S/C9H10ClN3OS/c1-2-5(11)8-12-13-9(15-8)6-3-4-7(10)14-6/h3-5H,2,11H2,1H3
InChIKeyKZNRDIVWHIMXEF-UHFFFAOYSA-N
XLogP2.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(5-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 82890680
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 106690471
1-[5-(3-bromo-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 114020283
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81106993
1-(5-chlorofuran-2-yl)butan-1-amine
CID 55295199
1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine
CID 66220871
[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 79084311
5-bromo-2-(5-chlorofuran-2-yl)-1,3-thiazole
CID 117259089
1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089071
1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone
CID 115091217
1-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 103022738

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 106690479) is 1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is CCC(N)c1nnc(-c2ccc(Cl)o2)s1.
What is the InChIKey of 1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is KZNRDIVWHIMXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-2-5(11)8-12-13-9(15-8)6-3-4-7(10)14-6/h3-5H,2,11H2,1H3.
What are the key properties of 1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 243.72 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 106690479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).