4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine

C11H17F3N2S — CID 106784143

IUPAC4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine
SMILESCC(C)(C)C(N)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-10(2,3)8(15)5-4-7-6-16-9(17-7)11(12,13)14/h6,8H,4-5,15H2,1-3H3
InChIKeyCKQFHZBMLVJWTH-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.47
Rot. Bonds3

About 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine

4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine (PubChem CID 106784143) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine
PubChem CID106784143
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine
SMILESCC(C)(C)C(N)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-10(2,3)8(15)5-4-7-6-16-9(17-7)11(12,13)14/h6,8H,4-5,15H2,1-3H3
InChIKeyCKQFHZBMLVJWTH-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine?
The IUPAC name of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine (CID 106784143) is 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine.
What is the SMILES notation for 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine?
The canonical SMILES for 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine is CC(C)(C)C(N)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine?
The InChIKey is CKQFHZBMLVJWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-10(2,3)8(15)5-4-7-6-16-9(17-7)11(12,13)14/h6,8H,4-5,15H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine?
4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine has a molecular weight of 266.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 106784143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).