4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

C11H8ClF3N2S — CID 123395210

IUPAC4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2cc(Cl)ccc2C(F)(F)F)cs1
InChIInChI=1S/C11H8ClF3N2S/c12-7-1-2-9(11(13,14)15)6(3-7)4-8-5-18-10(16)17-8/h1-3,5H,4H2,(H2,16,17)
InChIKeyPOYNNUVNCXMRFY-UHFFFAOYSA-N
MW292.71 g/mol
LogP3.99
Rot. Bonds2

About 4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 123395210) has the molecular formula C11H8ClF3N2S and a molecular weight of 292.71 g/mol. Its IUPAC name is 4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID123395210
Molecular FormulaC11H8ClF3N2S
Molecular Weight292.71 g/mol
Exact Mass292.00
IUPAC Name4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2cc(Cl)ccc2C(F)(F)F)cs1
InChIInChI=1S/C11H8ClF3N2S/c12-7-1-2-9(11(13,14)15)6(3-7)4-8-5-18-10(16)17-8/h1-3,5H,4H2,(H2,16,17)
InChIKeyPOYNNUVNCXMRFY-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 91597758
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 122488012
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 167531092
4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene
CID 118359594
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 167531090
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide
CID 91777823
7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(C,N-dimethylcarbonimidoyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 123679517
4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 63034928
2-(2-amino-1,3-thiazol-4-yl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 62799070

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (CID 123395210) is 4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2cc(Cl)ccc2C(F)(F)F)cs1.
What is the InChIKey of 4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is POYNNUVNCXMRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2S/c12-7-1-2-9(11(13,14)15)6(3-7)4-8-5-18-10(16)17-8/h1-3,5H,4H2,(H2,16,17).
What are the key properties of 4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 292.71 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 123395210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).