5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride

C5H13Cl3N4S — CID 75530993

IUPAC5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride
SMILESCC(C)(N)c1nnc(N)s1.Cl.Cl.Cl
InChIInChI=1S/C5H10N4S.3ClH/c1-5(2,7)3-8-9-4(6)10-3;;;/h7H2,1-2H3,(H2,6,9);3*1H
InChIKeyAFODTYWVMMZOAE-UHFFFAOYSA-N
MW267.61 g/mol
LogP1.58
Rot. Bonds1

About 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride

5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride (PubChem CID 75530993) has the molecular formula C5H13Cl3N4S and a molecular weight of 267.61 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride
PubChem CID75530993
Molecular FormulaC5H13Cl3N4S
Molecular Weight267.61 g/mol
Exact Mass265.99
IUPAC Name5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride
SMILESCC(C)(N)c1nnc(N)s1.Cl.Cl.Cl
InChIInChI=1S/C5H10N4S.3ClH/c1-5(2,7)3-8-9-4(6)10-3;;;/h7H2,1-2H3,(H2,6,9);3*1H
InChIKeyAFODTYWVMMZOAE-UHFFFAOYSA-N
XLogP1.58
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.61
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride?
The IUPAC name of 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride (CID 75530993) is 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride?
The canonical SMILES for 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride is CC(C)(N)c1nnc(N)s1.Cl.Cl.Cl.
What is the InChIKey of 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride?
The InChIKey is AFODTYWVMMZOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S.3ClH/c1-5(2,7)3-8-9-4(6)10-3;;;/h7H2,1-2H3,(H2,6,9);3*1H.
What are the key properties of 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride?
5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride has a molecular weight of 267.61 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride is sourced from PubChem (CID 75530993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).