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

C11H10ClF3N2S — CID 50913564

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(CNC2=NCCS2)c1Cl
InChIInChI=1S/C11H10ClF3N2S/c12-9-7(6-17-10-16-4-5-18-10)2-1-3-8(9)11(13,14)15/h1-3H,4-6H2,(H,16,17)
InChIKeyLNCMQGNOEPRMJN-UHFFFAOYSA-N
MW294.73 g/mol
LogP3.55
Rot. Bonds2

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

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 50913564) has the molecular formula C11H10ClF3N2S and a molecular weight of 294.73 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID50913564
Molecular FormulaC11H10ClF3N2S
Molecular Weight294.73 g/mol
Exact Mass294.02
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(CNC2=NCCS2)c1Cl
InChIInChI=1S/C11H10ClF3N2S/c12-9-7(6-17-10-16-4-5-18-10)2-1-3-8(9)11(13,14)15/h1-3H,4-6H2,(H,16,17)
InChIKeyLNCMQGNOEPRMJN-UHFFFAOYSA-N
XLogP3.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2996926
N-(2-chlorobenzyl)-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 935473
Thiazolamine, 4,5-dihydro-N-((4-chlorophenyl)methyl)-
CID 1214898
2-Thiazoline, 2-((m-trifluoromethylbenzyl)amino)-
CID 3055294
2-Thiazoline, 2-((o-chlorobenzyl)amino)-
CID 3055295
N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2733074
propyl N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioate
CID 10811982
N-[(3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 60903958
4,5-bis(4-chlorophenyl)-2-(2,2,2-trifluoroethylsulfanyl)-4,5-dihydro-1H-imidazole
CID 13116876
4,5-Bis(4-chlorophenyl)-4,5-dihydro-2-(2,2,2-trifluoroethylthio)-1H-imidazole Hydrochloride
CID 13116877
N-[2-[3,5-bis(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 25002899
N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913555

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 50913564) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)c1cccc(CNC2=NCCS2)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LNCMQGNOEPRMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2S/c12-9-7(6-17-10-16-4-5-18-10)2-1-3-8(9)11(13,14)15/h1-3H,4-6H2,(H,16,17).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 294.73 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 50913564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).