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

C6H6ClF3N2S — CID 103275762

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ncc(Cl)s1
InChIInChI=1S/C6H6ClF3N2S/c7-4-1-12-5(13-4)2-11-3-6(8,9)10/h1,11H,2-3H2
InChIKeySJMIHNUZERGXHS-UHFFFAOYSA-N
MW230.64 g/mol
LogP2.45
Rot. Bonds3

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 103275762) has the molecular formula C6H6ClF3N2S and a molecular weight of 230.64 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID103275762
Molecular FormulaC6H6ClF3N2S
Molecular Weight230.64 g/mol
Exact Mass229.99
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1ncc(Cl)s1
InChIInChI=1S/C6H6ClF3N2S/c7-4-1-12-5(13-4)2-11-3-6(8,9)10/h1,11H,2-3H2
InChIKeySJMIHNUZERGXHS-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine (CID 103275762) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is SJMIHNUZERGXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2S/c7-4-1-12-5(13-4)2-11-3-6(8,9)10/h1,11H,2-3H2.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 230.64 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 103275762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).