2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine

C10H17FN2S — CID 112566441

IUPAC2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
SMILESCC(C)(C)C(F)(CN)Cc1nccs1
InChIInChI=1S/C10H17FN2S/c1-9(2,3)10(11,7-12)6-8-13-4-5-14-8/h4-5H,6-7,12H2,1-3H3
InChIKeyAUPOCKZISNBDRM-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.40
Rot. Bonds3

About 2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine

2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine (PubChem CID 112566441) has the molecular formula C10H17FN2S and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
PubChem CID112566441
Molecular FormulaC10H17FN2S
Molecular Weight216.32 g/mol
Exact Mass216.11
IUPAC Name2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
SMILESCC(C)(C)C(F)(CN)Cc1nccs1
InChIInChI=1S/C10H17FN2S/c1-9(2,3)10(11,7-12)6-8-13-4-5-14-8/h4-5H,6-7,12H2,1-3H3
InChIKeyAUPOCKZISNBDRM-UHFFFAOYSA-N
XLogP2.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine (CID 112566441) is 2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine is CC(C)(C)C(F)(CN)Cc1nccs1.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The InChIKey is AUPOCKZISNBDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2S/c1-9(2,3)10(11,7-12)6-8-13-4-5-14-8/h4-5H,6-7,12H2,1-3H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine has a molecular weight of 216.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 112566441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).