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

C7H13N3S — CID 130545468

IUPAC2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nnc(C)s1
InChIInChI=1S/C7H13N3S/c1-4-7(3,8)6-10-9-5(2)11-6/h4,8H2,1-3H3
InChIKeyOWYBBOLXZVAHHF-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.43
Rot. Bonds2

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

2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine (PubChem CID 130545468) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
PubChem CID130545468
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nnc(C)s1
InChIInChI=1S/C7H13N3S/c1-4-7(3,8)6-10-9-5(2)11-6/h4,8H2,1-3H3
InChIKeyOWYBBOLXZVAHHF-UHFFFAOYSA-N
XLogP1.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Isobutyl-5-methyl-1,3,4-thiadiazole
CID 45123425
2-[(2S)-butan-2-yl]-5-methyl-1,3,4-thiadiazole
CID 68059684
2-Butan-2-yl-5-methyl-1,3,4-thiadiazole
CID 68256724
2-(5-Methyl-1,3,4-thiadiazol-2-yl)propan-2-amine
CID 82467882
[5-(5-Methyl-3,4-dihydropyrazol-5-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 91524607
1-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclopropan-1-amine
CID 126980410
1-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 130545567
1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 155794992
[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 64982686
(5-Butan-2-yl-1,3,4-thiadiazol-2-yl)methanamine
CID 64989252
1-(5-Methyl-1,3,4-thiadiazol-2-yl)propan-1-amine
CID 65725816
1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726457

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine (CID 130545468) is 2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine is CCC(C)(N)c1nnc(C)s1.
What is the InChIKey of 2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The InChIKey is OWYBBOLXZVAHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-4-7(3,8)6-10-9-5(2)11-6/h4,8H2,1-3H3.
What are the key properties of 2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine is sourced from PubChem (CID 130545468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).