5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H22F3N3S — CID 62768023

IUPAC5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C13H22F3N3S/c1-5-6-19(8-13(14,15)16)11-18-10(12(2,3)4)9(7-17)20-11/h5-8,17H2,1-4H3
InChIKeyUWGVNMMMUYWUBK-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.68
Rot. Bonds5

About 5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768023) has the molecular formula C13H22F3N3S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768023
Molecular FormulaC13H22F3N3S
Molecular Weight309.40 g/mol
Exact Mass309.15
IUPAC Name5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C13H22F3N3S/c1-5-6-19(8-13(14,15)16)11-18-10(12(2,3)4)9(7-17)20-11/h5-8,17H2,1-4H3
InChIKeyUWGVNMMMUYWUBK-UHFFFAOYSA-N
XLogP3.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768023) is 5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is UWGVNMMMUYWUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3S/c1-5-6-19(8-13(14,15)16)11-18-10(12(2,3)4)9(7-17)20-11/h5-8,17H2,1-4H3.
What are the key properties of 5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 309.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).