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

C6H11N3S — CID 64543255

IUPAC5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine
SMILESCC(C)Cc1nc(N)ns1
InChIInChI=1S/C6H11N3S/c1-4(2)3-5-8-6(7)9-10-5/h4H,3H2,1-2H3,(H2,7,9)
InChIKeyKCVZDHZHAMGXRK-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.32
Rot. Bonds2

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

5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine (PubChem CID 64543255) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine
PubChem CID64543255
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine
SMILESCC(C)Cc1nc(N)ns1
InChIInChI=1S/C6H11N3S/c1-4(2)3-5-8-6(7)9-10-5/h4H,3H2,1-2H3,(H2,7,9)
InChIKeyKCVZDHZHAMGXRK-UHFFFAOYSA-N
XLogP1.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine (CID 64543255) is 5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine is CC(C)Cc1nc(N)ns1.
What is the InChIKey of 5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is KCVZDHZHAMGXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-4(2)3-5-8-6(7)9-10-5/h4H,3H2,1-2H3,(H2,7,9).
What are the key properties of 5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine?
5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 157.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64543255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).