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

C10H17FN2S — CID 107443486

IUPAC3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)C(CN)C(F)Cc1nccs1
InChIInChI=1S/C10H17FN2S/c1-7(2)8(6-12)9(11)5-10-13-3-4-14-10/h3-4,7-9H,5-6,12H2,1-2H3
InChIKeyKFIONGHQASWFQL-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.25
Rot. Bonds5

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

3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine (PubChem CID 107443486) has the molecular formula C10H17FN2S and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
PubChem CID107443486
Molecular FormulaC10H17FN2S
Molecular Weight216.32 g/mol
Exact Mass216.11
IUPAC Name3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
SMILESCC(C)C(CN)C(F)Cc1nccs1
InChIInChI=1S/C10H17FN2S/c1-7(2)8(6-12)9(11)5-10-13-3-4-14-10/h3-4,7-9H,5-6,12H2,1-2H3
InChIKeyKFIONGHQASWFQL-UHFFFAOYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine (CID 107443486) is 3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine is CC(C)C(CN)C(F)Cc1nccs1.
What is the InChIKey of 3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is KFIONGHQASWFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2S/c1-7(2)8(6-12)9(11)5-10-13-3-4-14-10/h3-4,7-9H,5-6,12H2,1-2H3.
What are the key properties of 3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine?
3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 216.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 107443486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).