5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H22F3N3S — CID 79392791

IUPAC5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(C(C)C)c(CNC)s1
InChIInChI=1S/C13H22F3N3S/c1-5-6-19(8-13(14,15)16)12-18-11(9(2)3)10(20-12)7-17-4/h9,17H,5-8H2,1-4H3
InChIKeySBNFNCXVTMAGSB-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.76
Rot. Bonds7

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

5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 79392791) has the molecular formula C13H22F3N3S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID79392791
Molecular FormulaC13H22F3N3S
Molecular Weight309.40 g/mol
Exact Mass309.15
IUPAC Name5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(C(C)C)c(CNC)s1
InChIInChI=1S/C13H22F3N3S/c1-5-6-19(8-13(14,15)16)12-18-11(9(2)3)10(20-12)7-17-4/h9,17H,5-8H2,1-4H3
InChIKeySBNFNCXVTMAGSB-UHFFFAOYSA-N
XLogP3.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 79392791) is 5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCN(CC(F)(F)F)c1nc(C(C)C)c(CNC)s1.
What is the InChIKey of 5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is SBNFNCXVTMAGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3S/c1-5-6-19(8-13(14,15)16)12-18-11(9(2)3)10(20-12)7-17-4/h9,17H,5-8H2,1-4H3.
What are the key properties of 5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 309.40 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79392791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).