5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine

C5H8ClN3S — CID 21404024

IUPAC5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(Cl)c1nnc(N)s1
InChIInChI=1S/C5H8ClN3S/c1-2-3(6)4-8-9-5(7)10-4/h3H,2H2,1H3,(H2,7,9)
InChIKeyZMOXVHMYQOWTFM-UHFFFAOYSA-N
MW177.66 g/mol
LogP1.81
Rot. Bonds2

About 5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine

5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 21404024) has the molecular formula C5H8ClN3S and a molecular weight of 177.66 g/mol. Its IUPAC name is 5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine
PubChem CID21404024
Molecular FormulaC5H8ClN3S
Molecular Weight177.66 g/mol
Exact Mass177.01
IUPAC Name5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(Cl)c1nnc(N)s1
InChIInChI=1S/C5H8ClN3S/c1-2-3(6)4-8-9-5(7)10-4/h3H,2H2,1H3,(H2,7,9)
InChIKeyZMOXVHMYQOWTFM-UHFFFAOYSA-N
XLogP1.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-Propyl-1,3,4-thiadiazol-2-amine
CID 575394
5-(2-Chloroethyl)-1,3,4-thiadiazol-2-amine
CID 15031707
5-Butyl-1,3,4-thiadiazol-2-amine
CID 1622592
1,3,4-Thiadiazole, 2-amino-5-ethyl-, hydrochloride
CID 11971454
5-Isopropyl-1,3,4-thiadiazol-2-amine hydrochloride
CID 68460759
5-(4-Chlorobutyl)-1,3,4-thiadiazol-2-amine
CID 19932949
5-(3-Chloropropyl)-1,3,4-thiadiazol-2-amine
CID 19932963
5-(1-Chloroethyl)-1,3,4-thiadiazol-2-amine
CID 20392663
5-(2-Chloro-1,1-dimethylethyl)-1,3,4-thiadiazol-2-amine
CID 21642127
5-(2-Chloropropyl)-1,3,4-thiadiazol-2-amine
CID 54459616
5-Butyl-1,3,4-thiadiazol-2-amine;hydrochloride
CID 135307680
Ethane;5-ethyl-1,3,4-thiadiazol-2-amine
CID 143067847

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine (CID 21404024) is 5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine is CCC(Cl)c1nnc(N)s1.
What is the InChIKey of 5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZMOXVHMYQOWTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3S/c1-2-3(6)4-8-9-5(7)10-4/h3H,2H2,1H3,(H2,7,9).
What are the key properties of 5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine?
5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 177.66 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloropropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 21404024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).