N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine

C9H13F3N2S — CID 61193341

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCc1nc(C)c(C(C)NCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-5(13-4-9(10,11)12)8-6(2)14-7(3)15-8/h5,13H,4H2,1-3H3
InChIKeyMBRDBPAIWJEJAR-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.97
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 61193341) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine
PubChem CID61193341
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine
SMILESCc1nc(C)c(C(C)NCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-5(13-4-9(10,11)12)8-6(2)14-7(3)15-8/h5,13H,4H2,1-3H3
InChIKeyMBRDBPAIWJEJAR-UHFFFAOYSA-N
XLogP2.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine (CID 61193341) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine is Cc1nc(C)c(C(C)NCC(F)(F)F)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is MBRDBPAIWJEJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-5(13-4-9(10,11)12)8-6(2)14-7(3)15-8/h5,13H,4H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 238.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 61193341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).