1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C12H19F3N2OS — CID 103215600

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1csc(C)n1
InChIInChI=1S/C12H19F3N2OS/c1-3-4-16-10(6-18-8-12(13,14)15)5-11-7-19-9(2)17-11/h7,10,16H,3-6,8H2,1-2H3
InChIKeyVODKKGBFZROZEQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.94
Rot. Bonds8

About 1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215600) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215600
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1csc(C)n1
InChIInChI=1S/C12H19F3N2OS/c1-3-4-16-10(6-18-8-12(13,14)15)5-11-7-19-9(2)17-11/h7,10,16H,3-6,8H2,1-2H3
InChIKeyVODKKGBFZROZEQ-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215600) is 1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCCNC(COCC(F)(F)F)Cc1csc(C)n1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is VODKKGBFZROZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-3-4-16-10(6-18-8-12(13,14)15)5-11-7-19-9(2)17-11/h7,10,16H,3-6,8H2,1-2H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 296.36 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).