chloroform;5-propyl-1,3,4-thiadiazol-2-amine

C6H10Cl3N3S — CID 174928082

IUPACchloroform;5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(N)s1.ClC(Cl)Cl
InChIInChI=1S/C5H9N3S.CHCl3/c1-2-3-4-7-8-5(6)9-4;2-1(3)4/h2-3H2,1H3,(H2,6,8);1H
InChIKeyOBBVWARVJAKZQE-UHFFFAOYSA-N
MW262.59 g/mol
LogP3.06
Rot. Bonds2

About chloroform;5-propyl-1,3,4-thiadiazol-2-amine

chloroform;5-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 174928082) has the molecular formula C6H10Cl3N3S and a molecular weight of 262.59 g/mol. Its IUPAC name is chloroform;5-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Namechloroform;5-propyl-1,3,4-thiadiazol-2-amine
PubChem CID174928082
Molecular FormulaC6H10Cl3N3S
Molecular Weight262.59 g/mol
Exact Mass260.97
IUPAC Namechloroform;5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(N)s1.ClC(Cl)Cl
InChIInChI=1S/C5H9N3S.CHCl3/c1-2-3-4-7-8-5(6)9-4;2-1(3)4/h2-3H2,1H3,(H2,6,8);1H
InChIKeyOBBVWARVJAKZQE-UHFFFAOYSA-N
XLogP3.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.59
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroform;5-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of chloroform;5-propyl-1,3,4-thiadiazol-2-amine (CID 174928082) is chloroform;5-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for chloroform;5-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for chloroform;5-propyl-1,3,4-thiadiazol-2-amine is CCCc1nnc(N)s1.ClC(Cl)Cl.
What is the InChIKey of chloroform;5-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is OBBVWARVJAKZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S.CHCl3/c1-2-3-4-7-8-5(6)9-4;2-1(3)4/h2-3H2,1H3,(H2,6,8);1H.
What are the key properties of chloroform;5-propyl-1,3,4-thiadiazol-2-amine?
chloroform;5-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 262.59 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;5-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 174928082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).