N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine

C9H13F3N2S — CID 106784073

IUPACN-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-6(2)13-4-3-7-5-14-8(15-7)9(10,11)12/h5-6,13H,3-4H2,1-2H3
InChIKeyLNVJUFBVPJBYPD-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.70
Rot. Bonds4

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

N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine (PubChem CID 106784073) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
PubChem CID106784073
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC NameN-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-6(2)13-4-3-7-5-14-8(15-7)9(10,11)12/h5-6,13H,3-4H2,1-2H3
InChIKeyLNVJUFBVPJBYPD-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorobutyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784217
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol
CID 106784203
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 106784034
N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106784172
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanal
CID 106784126
5-(chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 106784054
N-ethyl-2,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106785855
N-[furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783247
N-[[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopentyl]methyl]propan-2-amine
CID 106784544
ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
CID 106784039

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine (CID 106784073) is N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine is CC(C)NCCc1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is LNVJUFBVPJBYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-6(2)13-4-3-7-5-14-8(15-7)9(10,11)12/h5-6,13H,3-4H2,1-2H3.
What are the key properties of N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine?
N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 238.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 106784073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).