3-(1,2,4-thiadiazol-5-yl)butan-2-amine

C6H11N3S — CID 65280359

IUPAC3-(1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCC(N)C(C)c1ncns1
InChIInChI=1S/C6H11N3S/c1-4(5(2)7)6-8-3-9-10-6/h3-5H,7H2,1-2H3
InChIKeyCRRIULMBLZIKSN-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.99
Rot. Bonds2

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

3-(1,2,4-thiadiazol-5-yl)butan-2-amine (PubChem CID 65280359) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 3-(1,2,4-thiadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3-(1,2,4-thiadiazol-5-yl)butan-2-amine
PubChem CID65280359
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name3-(1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCC(N)C(C)c1ncns1
InChIInChI=1S/C6H11N3S/c1-4(5(2)7)6-8-3-9-10-6/h3-5H,7H2,1-2H3
InChIKeyCRRIULMBLZIKSN-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-thiadiazol-5-yl)butan-2-amine?
The IUPAC name of 3-(1,2,4-thiadiazol-5-yl)butan-2-amine (CID 65280359) is 3-(1,2,4-thiadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 3-(1,2,4-thiadiazol-5-yl)butan-2-amine?
The canonical SMILES for 3-(1,2,4-thiadiazol-5-yl)butan-2-amine is CC(N)C(C)c1ncns1.
What is the InChIKey of 3-(1,2,4-thiadiazol-5-yl)butan-2-amine?
The InChIKey is CRRIULMBLZIKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-4(5(2)7)6-8-3-9-10-6/h3-5H,7H2,1-2H3.
What are the key properties of 3-(1,2,4-thiadiazol-5-yl)butan-2-amine?
3-(1,2,4-thiadiazol-5-yl)butan-2-amine has a molecular weight of 157.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-thiadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 65280359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).