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

C8H10ClF3N2S — CID 79764078

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1cnc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C8H10ClF3N2S/c1-2-14(5-8(10,11)12)4-6-3-13-7(9)15-6/h3H,2,4-5H2,1H3
InChIKeyQFCZGTXAULZWGB-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.18
Rot. Bonds4

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 79764078) has the molecular formula C8H10ClF3N2S and a molecular weight of 258.70 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID79764078
Molecular FormulaC8H10ClF3N2S
Molecular Weight258.70 g/mol
Exact Mass258.02
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1cnc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C8H10ClF3N2S/c1-2-14(5-8(10,11)12)4-6-3-13-7(9)15-6/h3H,2,4-5H2,1H3
InChIKeyQFCZGTXAULZWGB-UHFFFAOYSA-N
XLogP3.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.18
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]-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine (CID 79764078) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine is CCN(Cc1cnc(Cl)s1)CC(F)(F)F.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is QFCZGTXAULZWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2S/c1-2-14(5-8(10,11)12)4-6-3-13-7(9)15-6/h3H,2,4-5H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 258.70 g/mol, XLogP of 3.18, 4 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]-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 79764078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).