N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine

C7H8ClF3N2S — CID 79764328

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1cnc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C7H8ClF3N2S/c1-13(4-7(9,10)11)3-5-2-12-6(8)14-5/h2H,3-4H2,1H3
InChIKeyGOEHKMGNDXIRMS-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.79
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 79764328) has the molecular formula C7H8ClF3N2S and a molecular weight of 244.67 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID79764328
Molecular FormulaC7H8ClF3N2S
Molecular Weight244.67 g/mol
Exact Mass244.00
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1cnc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C7H8ClF3N2S/c1-13(4-7(9,10)11)3-5-2-12-6(8)14-5/h2H,3-4H2,1H3
InChIKeyGOEHKMGNDXIRMS-UHFFFAOYSA-N
XLogP2.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine (CID 79764328) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine is CN(Cc1cnc(Cl)s1)CC(F)(F)F.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is GOEHKMGNDXIRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2S/c1-13(4-7(9,10)11)3-5-2-12-6(8)14-5/h2H,3-4H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 244.67 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 79764328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).