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

C8H15N3S — CID 65208842

IUPAC3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
SMILESCc1nnc(CC(N)C(C)C)s1
InChIInChI=1S/C8H15N3S/c1-5(2)7(9)4-8-11-10-6(3)12-8/h5,7H,4,9H2,1-3H3
InChIKeyWRNOCRSJYHEHKZ-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.37
Rot. Bonds3

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

3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine (PubChem CID 65208842) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
PubChem CID65208842
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
SMILESCc1nnc(CC(N)C(C)C)s1
InChIInChI=1S/C8H15N3S/c1-5(2)7(9)4-8-11-10-6(3)12-8/h5,7H,4,9H2,1-3H3
InChIKeyWRNOCRSJYHEHKZ-UHFFFAOYSA-N
XLogP1.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,3,4-thiadiazol-2-yl)propan-2-ol
CID 65208576
2-(2-chloropropyl)-5-methyl-1,3,4-thiadiazole
CID 65208736
2-(3-bromo-2-methylbutyl)-5-methyl-1,3,4-thiadiazole
CID 164654249
2-(2-chloro-3,3-dimethylbutyl)-5-methyl-1,3,4-thiadiazole
CID 65208788
(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
CID 11615231
1-methyl-2-[(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-2-yl]hydrazine
CID 167047306
3-amino-2-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol
CID 164661717
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 83702683
2-[2-(chloromethyl)butyl]-5-methyl-1,3,4-thiadiazole
CID 165446217
3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-one
CID 65208677
2-[(Z)-but-2-enyl]-5-methyl-1,3,4-thiadiazole
CID 145452066

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine (CID 65208842) is 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine is Cc1nnc(CC(N)C(C)C)s1.
What is the InChIKey of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
The InChIKey is WRNOCRSJYHEHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5(2)7(9)4-8-11-10-6(3)12-8/h5,7H,4,9H2,1-3H3.
What are the key properties of 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine?
3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine is sourced from PubChem (CID 65208842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).