N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C11H9F3N2S — CID 175598206

IUPACN-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H9F3N2S/c1-7-4-2-3-5-8(7)15-10-16-9(6-17-10)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyJPRLCZIYMRQLOU-UHFFFAOYSA-N
MW258.27 g/mol
LogP4.21
Rot. Bonds2

About N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 175598206) has the molecular formula C11H9F3N2S and a molecular weight of 258.27 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID175598206
Molecular FormulaC11H9F3N2S
Molecular Weight258.27 g/mol
Exact Mass258.04
IUPAC NameN-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H9F3N2S/c1-7-4-2-3-5-8(7)15-10-16-9(6-17-10)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyJPRLCZIYMRQLOU-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 143265581
5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine
CID 143265469
N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128894
methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423299
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53443796
N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
CID 164562851
4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 10861139
4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
CID 130497378
N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide
CID 171782810
2-methyl-2-phenyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863556
1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 11174547

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 175598206) is N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1ccccc1Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is JPRLCZIYMRQLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2S/c1-7-4-2-3-5-8(7)15-10-16-9(6-17-10)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 258.27 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 175598206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).