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

C9H10ClN3OS — CID 106690471

IUPAC3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(-c2ccc(Cl)o2)s1
InChIInChI=1S/C9H10ClN3OS/c10-7-4-3-6(14-7)9-13-12-8(15-9)2-1-5-11/h3-4H,1-2,5,11H2
InChIKeyFUJZMRZLKWYAEE-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.34
Rot. Bonds4

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

3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 106690471) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID106690471
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(-c2ccc(Cl)o2)s1
InChIInChI=1S/C9H10ClN3OS/c10-7-4-3-6(14-7)9-13-12-8(15-9)2-1-5-11/h3-4H,1-2,5,11H2
InChIKeyFUJZMRZLKWYAEE-UHFFFAOYSA-N
XLogP2.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 106690471) is 3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is NCCCc1nnc(-c2ccc(Cl)o2)s1.
What is the InChIKey of 3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is FUJZMRZLKWYAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-7-4-3-6(14-7)9-13-12-8(15-9)2-1-5-11/h3-4H,1-2,5,11H2.
What are the key properties of 3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
3-[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 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 106690471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).