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

C7H13N3S — CID 65272802

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCC(N)Cc1nc(C)ns1
InChIInChI=1S/C7H13N3S/c1-3-6(8)4-7-9-5(2)10-11-7/h6H,3-4,8H2,1-2H3
InChIKeySXYWVIRWLYOONZ-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.13
Rot. Bonds3

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

1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine (PubChem CID 65272802) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
PubChem CID65272802
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCC(N)Cc1nc(C)ns1
InChIInChI=1S/C7H13N3S/c1-3-6(8)4-7-9-5(2)10-11-7/h6H,3-4,8H2,1-2H3
InChIKeySXYWVIRWLYOONZ-UHFFFAOYSA-N
XLogP1.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine (CID 65272802) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine is CCC(N)Cc1nc(C)ns1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The InChIKey is SXYWVIRWLYOONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-6(8)4-7-9-5(2)10-11-7/h6H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 65272802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).