1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C12H19F3N2OS — CID 103215957

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)F)Cc1nc(C)c(C)s1
InChIInChI=1S/C12H19F3N2OS/c1-4-16-10(6-18-7-12(13,14)15)5-11-17-8(2)9(3)19-11/h10,16H,4-7H2,1-3H3
InChIKeyOZGAGJNLDSJSCI-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.86
Rot. Bonds7

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215957) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215957
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)F)Cc1nc(C)c(C)s1
InChIInChI=1S/C12H19F3N2OS/c1-4-16-10(6-18-7-12(13,14)15)5-11-17-8(2)9(3)19-11/h10,16H,4-7H2,1-3H3
InChIKeyOZGAGJNLDSJSCI-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215957) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCNC(COCC(F)(F)F)Cc1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is OZGAGJNLDSJSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-4-16-10(6-18-7-12(13,14)15)5-11-17-8(2)9(3)19-11/h10,16H,4-7H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 296.36 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).