5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

C14H17F3N2S — CID 107153737

IUPAC5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C14H17F3N2S/c1-9(2)6-12-8-18-13(20-12)19-11-5-3-4-10(7-11)14(15,16)17/h3-5,7,9,12H,6,8H2,1-2H3,(H,18,19)
InChIKeyAZSDJKJKMZSXQK-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.63
Rot. Bonds3

About 5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153737) has the molecular formula C14H17F3N2S and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153737
Molecular FormulaC14H17F3N2S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C14H17F3N2S/c1-9(2)6-12-8-18-13(20-12)19-11-5-3-4-10(7-11)14(15,16)17/h3-5,7,9,12H,6,8H2,1-2H3,(H,18,19)
InChIKeyAZSDJKJKMZSXQK-UHFFFAOYSA-N
XLogP4.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79246569
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351157
(4S)-4-methyl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 7157482
1-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556215
N-[1-(2-methylphenyl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154120
5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107153676
N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114108938
N-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106014089
N-(2-methyl-2-methylsulfonylpropyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154552
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145347
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154208

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 107153737) is 5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(Nc2cccc(C(F)(F)F)c2)S1.
What is the InChIKey of 5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AZSDJKJKMZSXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2S/c1-9(2)6-12-8-18-13(20-12)19-11-5-3-4-10(7-11)14(15,16)17/h3-5,7,9,12H,6,8H2,1-2H3,(H,18,19).
What are the key properties of 5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 302.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).