5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine

C6H12N4S — CID 51000303

IUPAC5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)C(N)c1nnc(N)s1
InChIInChI=1S/C6H12N4S/c1-3(2)4(7)5-9-10-6(8)11-5/h3-4H,7H2,1-2H3,(H2,8,10)
InChIKeyHXROHLJMXPFMES-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.78
Rot. Bonds2

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

5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 51000303) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID51000303
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Name5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)C(N)c1nnc(N)s1
InChIInChI=1S/C6H12N4S/c1-3(2)4(7)5-9-10-6(8)11-5/h3-4H,7H2,1-2H3,(H2,8,10)
InChIKeyHXROHLJMXPFMES-UHFFFAOYSA-N
XLogP0.78
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 51000303) is 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)C(N)c1nnc(N)s1.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HXROHLJMXPFMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-3(2)4(7)5-9-10-6(8)11-5/h3-4H,7H2,1-2H3,(H2,8,10).
What are the key properties of 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine?
5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 172.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 51000303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).