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

C11H19FN2S — CID 112566568

IUPAC2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine
SMILESCc1nc(CC(F)(CN)C(C)(C)C)cs1
InChIInChI=1S/C11H19FN2S/c1-8-14-9(6-15-8)5-11(12,7-13)10(2,3)4/h6H,5,7,13H2,1-4H3
InChIKeySIPGYNRJSANRRI-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.71
Rot. Bonds3

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

2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine (PubChem CID 112566568) has the molecular formula C11H19FN2S and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine
PubChem CID112566568
Molecular FormulaC11H19FN2S
Molecular Weight230.35 g/mol
Exact Mass230.13
IUPAC Name2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine
SMILESCc1nc(CC(F)(CN)C(C)(C)C)cs1
InChIInChI=1S/C11H19FN2S/c1-8-14-9(6-15-8)5-11(12,7-13)10(2,3)4/h6H,5,7,13H2,1-4H3
InChIKeySIPGYNRJSANRRI-UHFFFAOYSA-N
XLogP2.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.71
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-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine (CID 112566568) is 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine is Cc1nc(CC(F)(CN)C(C)(C)C)cs1.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine?
The InChIKey is SIPGYNRJSANRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2S/c1-8-14-9(6-15-8)5-11(12,7-13)10(2,3)4/h6H,5,7,13H2,1-4H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine?
2-fluoro-3,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.71, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 112566568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).