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

C6H10ClN3S — CID 19932949

IUPAC5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCCCl)s1
InChIInChI=1S/C6H10ClN3S/c7-4-2-1-3-5-9-10-6(8)11-5/h1-4H2,(H2,8,10)
InChIKeyOWECDUBSENHBOQ-UHFFFAOYSA-N
MW191.69 g/mol
LogP1.68
Rot. Bonds4

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

5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine (PubChem CID 19932949) has the molecular formula C6H10ClN3S and a molecular weight of 191.69 g/mol. Its IUPAC name is 5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine
PubChem CID19932949
Molecular FormulaC6H10ClN3S
Molecular Weight191.69 g/mol
Exact Mass191.03
IUPAC Name5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCCCl)s1
InChIInChI=1S/C6H10ClN3S/c7-4-2-1-3-5-9-10-6(8)11-5/h1-4H2,(H2,8,10)
InChIKeyOWECDUBSENHBOQ-UHFFFAOYSA-N
XLogP1.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.69
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Chloroethyl)-1,3,4-thiadiazol-2-amine
CID 15031707
5-Butyl-1,3,4-thiadiazol-2-amine
CID 1622592
5-(3-Chloropropyl)-1,3,4-thiadiazol-2-amine
CID 19932963
5-(1-Chloroethyl)-1,3,4-thiadiazol-2-amine
CID 20392663
5-(1-Chloropropyl)-1,3,4-thiadiazol-2-amine
CID 21404024
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
5-(4,4,4-Trichlorobutyl)-1,3,4-thiadiazol-2-amine
CID 174928081
5-(2-Aminochloranuidylethyl)-1,3,4-thiadiazol-2-amine
CID 140916827

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine (CID 19932949) is 5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(CCCCCl)s1.
What is the InChIKey of 5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OWECDUBSENHBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3S/c7-4-2-1-3-5-9-10-6(8)11-5/h1-4H2,(H2,8,10).
What are the key properties of 5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine?
5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 191.69 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobutyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 19932949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).