N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine

C10H15F3N2S — CID 106783035

IUPACN,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCNC(CC(C)C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-6(2)4-7(14-3)8-5-15-9(16-8)10(11,12)13/h5-7,14H,4H2,1-3H3
InChIKeyIZQOOKKXJKOLTO-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.47
Rot. Bonds4

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

N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 106783035) has the molecular formula C10H15F3N2S and a molecular weight of 252.31 g/mol. Its IUPAC name is N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID106783035
Molecular FormulaC10H15F3N2S
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC NameN,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCNC(CC(C)C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N2S/c1-6(2)4-7(14-3)8-5-15-9(16-8)10(11,12)13/h5-7,14H,4H2,1-3H3
InChIKeyIZQOOKKXJKOLTO-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (CID 106783035) is N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is CNC(CC(C)C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is IZQOOKKXJKOLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-6(2)4-7(14-3)8-5-15-9(16-8)10(11,12)13/h5-7,14H,4H2,1-3H3.
What are the key properties of N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 252.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 106783035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).