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

C8H11F3N2S — CID 130637982

IUPACN-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCC(C)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-3-5(2)13-7-12-4-6(14-7)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyCTZLXKJYLLPPBG-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.37
Rot. Bonds3

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

N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 130637982) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID130637982
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC NameN-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCC(C)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-3-5(2)13-7-12-4-6(14-7)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyCTZLXKJYLLPPBG-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Trifluoromethyl)-1,3-thiazol-2-amine
CID 15388849
2-Thiazolamine, n-(3,4-dihydro-2h-pyrrol-5-yl)-5-methyl-
CID 2101061
2-Thiazolamine, N-methyl-5-(trifluoromethyl)-
CID 11074029
5-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 3101501
5-Methyl-2-(piperazin-1-yl)thiazole
CID 21100190
N,5-dimethylthiazol-2-amine
CID 817028
N,5-dimethyl-1,3-thiazol-2-amine hydrochloride
CID 137971635
N-cyano-N'-methyl-N''-(2-((2-amino-5-thiazolyl)methylthio)ethyl)guanidine
CID 149370
5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine
CID 91253883
N-[2,2,2-trifluoro-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-(trifluoromethyl)ethyl]propanamide
CID 1208101
1,3-Dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 19044103
1-(5-Trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100200

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (CID 130637982) is N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is CCC(C)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is CTZLXKJYLLPPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-3-5(2)13-7-12-4-6(14-7)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 224.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130637982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).