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

C13H21F3N2OS — CID 103215963

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1nc(C)c(C)s1
InChIInChI=1S/C13H21F3N2OS/c1-4-5-17-11(7-19-8-13(14,15)16)6-12-18-9(2)10(3)20-12/h11,17H,4-8H2,1-3H3
InChIKeyYKAQENJZPKXNHS-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.25
Rot. Bonds8

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215963) has the molecular formula C13H21F3N2OS and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215963
Molecular FormulaC13H21F3N2OS
Molecular Weight310.39 g/mol
Exact Mass310.13
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1nc(C)c(C)s1
InChIInChI=1S/C13H21F3N2OS/c1-4-5-17-11(7-19-8-13(14,15)16)6-12-18-9(2)10(3)20-12/h11,17H,4-8H2,1-3H3
InChIKeyYKAQENJZPKXNHS-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.25
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-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215963) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCCNC(COCC(F)(F)F)Cc1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is YKAQENJZPKXNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2OS/c1-4-5-17-11(7-19-8-13(14,15)16)6-12-18-9(2)10(3)20-12/h11,17H,4-8H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 310.39 g/mol, XLogP of 3.25, 8 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-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).