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

C5H12Cl2N4S — CID 71299316

IUPAC5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCC(C)(N)c1nnc(N)s1.Cl.Cl
InChIInChI=1S/C5H10N4S.2ClH/c1-5(2,7)3-8-9-4(6)10-3;;/h7H2,1-2H3,(H2,6,9);2*1H
InChIKeyFQDKZFKBULVYTB-UHFFFAOYSA-N
MW231.15 g/mol
LogP1.16
Rot. Bonds1

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

5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride (PubChem CID 71299316) has the molecular formula C5H12Cl2N4S and a molecular weight of 231.15 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride
PubChem CID71299316
Molecular FormulaC5H12Cl2N4S
Molecular Weight231.15 g/mol
Exact Mass230.02
IUPAC Name5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCC(C)(N)c1nnc(N)s1.Cl.Cl
InChIInChI=1S/C5H10N4S.2ClH/c1-5(2,7)3-8-9-4(6)10-3;;/h7H2,1-2H3,(H2,6,9);2*1H
InChIKeyFQDKZFKBULVYTB-UHFFFAOYSA-N
XLogP1.16
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Buthidazolamine
CID 170170
1,3,4-Thiadiazole, 2-amino-5-ethyl-, hydrochloride
CID 11971454
5-Isopropyl-1,3,4-thiadiazol-2-amine hydrochloride
CID 68460759
5-Propan-2-yl-1,3,4-thiadiazol-2-amine chloride
CID 21205119
5-Tert-butyl-1,3,4-thiadiazol-2-amine chloride
CID 21205120
5-(1-Aminoethyl)-1,3,4-thiadiazol-2-amine dihydrochloride
CID 50998536
5-(2-Aminopropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 51072256
5-(1-Amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine dihydrochloride
CID 71299318
5-(1-Amino-1-methylethyl)-1,3,4-thiadiazol-2-amine trihydrochloride
CID 75530993

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The IUPAC name of 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride (CID 71299316) is 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride is CC(C)(N)c1nnc(N)s1.Cl.Cl.
What is the InChIKey of 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The InChIKey is FQDKZFKBULVYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S.2ClH/c1-5(2,7)3-8-9-4(6)10-3;;/h7H2,1-2H3,(H2,6,9);2*1H.
What are the key properties of 5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;dihydrochloride has a molecular weight of 231.15 g/mol, XLogP of 1.16, 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;dihydrochloride is sourced from PubChem (CID 71299316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).