[2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C11H8ClF3N2S — CID 113497267

IUPAC[2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(-c2cccc(Cl)c2)nc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2S/c12-7-3-1-2-6(4-7)10-17-9(11(13,14)15)8(5-16)18-10/h1-4H,5,16H2
InChIKeyOMJYQMQLMYJDCQ-UHFFFAOYSA-N
MW292.71 g/mol
LogP3.94
Rot. Bonds2

About [2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

[2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 113497267) has the molecular formula C11H8ClF3N2S and a molecular weight of 292.71 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID113497267
Molecular FormulaC11H8ClF3N2S
Molecular Weight292.71 g/mol
Exact Mass292.00
IUPAC Name[2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(-c2cccc(Cl)c2)nc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2S/c12-7-3-1-2-6(4-7)10-17-9(11(13,14)15)8(5-16)18-10/h1-4H,5,16H2
InChIKeyOMJYQMQLMYJDCQ-UHFFFAOYSA-N
XLogP3.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181
1-[2-(3-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364723
[2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 113497248
5-(bromomethyl)-2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine
CID 114205631
N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364557
5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 3120295
N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114367891
[2-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 103375114
[4-(3-chlorophenyl)thiadiazol-5-yl]methanamine
CID 65208001
2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291592
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
[3-(3-chlorophenyl)-2-pyridinyl]methanamine
CID 82106044

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 113497267) is [2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NCc1sc(-c2cccc(Cl)c2)nc1C(F)(F)F.
What is the InChIKey of [2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is OMJYQMQLMYJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2S/c12-7-3-1-2-6(4-7)10-17-9(11(13,14)15)8(5-16)18-10/h1-4H,5,16H2.
What are the key properties of [2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
[2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 292.71 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 113497267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).