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

C11H17F3N2S — CID 106784185

IUPACN,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
SMILESCNC(C)CC(C)(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-7(15-4)5-10(2,3)8-6-16-9(17-8)11(12,13)14/h6-7,15H,5H2,1-4H3
InChIKeyXBLFQQSIAQTOAX-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.44
Rot. Bonds4

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

N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine (PubChem CID 106784185) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
PubChem CID106784185
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
SMILESCNC(C)CC(C)(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-7(15-4)5-10(2,3)8-6-16-9(17-8)11(12,13)14/h6-7,15H,5H2,1-4H3
InChIKeyXBLFQQSIAQTOAX-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
CID 84787492
3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106782217
N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783067
1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782230
4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106784457
N-methyl-2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783288
N,2-dimethyl-3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 114222091
1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782166
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
N-ethyl-2,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106785855
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal
CID 106784126

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine?
The IUPAC name of N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine (CID 106784185) is N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine?
The canonical SMILES for N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine is CNC(C)CC(C)(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine?
The InChIKey is XBLFQQSIAQTOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-7(15-4)5-10(2,3)8-6-16-9(17-8)11(12,13)14/h6-7,15H,5H2,1-4H3.
What are the key properties of N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine?
N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine has a molecular weight of 266.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 106784185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).