3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine

C7H12FN3S — CID 130589388

IUPAC3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine
SMILESCC(C)(N)C(F)Cc1csnn1
InChIInChI=1S/C7H12FN3S/c1-7(2,9)6(8)3-5-4-12-11-10-5/h4,6H,3,9H2,1-2H3
InChIKeyXMIZVIKLHXUIOR-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.16
Rot. Bonds3

About 3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine

3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine (PubChem CID 130589388) has the molecular formula C7H12FN3S and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine
PubChem CID130589388
Molecular FormulaC7H12FN3S
Molecular Weight189.26 g/mol
Exact Mass189.07
IUPAC Name3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine
SMILESCC(C)(N)C(F)Cc1csnn1
InChIInChI=1S/C7H12FN3S/c1-7(2,9)6(8)3-5-4-12-11-10-5/h4,6H,3,9H2,1-2H3
InChIKeyXMIZVIKLHXUIOR-UHFFFAOYSA-N
XLogP1.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine?
The IUPAC name of 3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine (CID 130589388) is 3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine.
What is the SMILES notation for 3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine?
The canonical SMILES for 3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine is CC(C)(N)C(F)Cc1csnn1.
What is the InChIKey of 3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine?
The InChIKey is XMIZVIKLHXUIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3S/c1-7(2,9)6(8)3-5-4-12-11-10-5/h4,6H,3,9H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine?
3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine has a molecular weight of 189.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-4-(thiadiazol-4-yl)butan-2-amine is sourced from PubChem (CID 130589388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).