4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine

C8H13FN2S — CID 127004475

IUPAC4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine
SMILESCC(C)(N)CC(F)c1ccsn1
InChIInChI=1S/C8H13FN2S/c1-8(2,10)5-6(9)7-3-4-12-11-7/h3-4,6H,5,10H2,1-2H3
InChIKeyHTVNLXWRXXZXRC-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.28
Rot. Bonds3

About 4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine

4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine (PubChem CID 127004475) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine
PubChem CID127004475
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC Name4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine
SMILESCC(C)(N)CC(F)c1ccsn1
InChIInChI=1S/C8H13FN2S/c1-8(2,10)5-6(9)7-3-4-12-11-7/h3-4,6H,5,10H2,1-2H3
InChIKeyHTVNLXWRXXZXRC-UHFFFAOYSA-N
XLogP2.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine?
The IUPAC name of 4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine (CID 127004475) is 4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine?
The canonical SMILES for 4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine is CC(C)(N)CC(F)c1ccsn1.
What is the InChIKey of 4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine?
The InChIKey is HTVNLXWRXXZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-8(2,10)5-6(9)7-3-4-12-11-7/h3-4,6H,5,10H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine?
4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine is sourced from PubChem (CID 127004475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).