N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C15H18F3N3OS — CID 71879498

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC(C)(C)c1ncc(CNc2ccc(OCC(F)(F)F)nc2)s1
InChIInChI=1S/C15H18F3N3OS/c1-14(2,3)13-21-8-11(23-13)7-19-10-4-5-12(20-6-10)22-9-15(16,17)18/h4-6,8,19H,7,9H2,1-3H3
InChIKeyXSUZQRAJRZEWEH-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.39
Rot. Bonds5

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 71879498) has the molecular formula C15H18F3N3OS and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID71879498
Molecular FormulaC15H18F3N3OS
Molecular Weight345.39 g/mol
Exact Mass345.11
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC(C)(C)c1ncc(CNc2ccc(OCC(F)(F)F)nc2)s1
InChIInChI=1S/C15H18F3N3OS/c1-14(2,3)13-21-8-11(23-13)7-19-10-4-5-12(20-6-10)22-9-15(16,17)18/h4-6,8,19H,7,9H2,1-3H3
InChIKeyXSUZQRAJRZEWEH-UHFFFAOYSA-N
XLogP4.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 71879498) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is CC(C)(C)c1ncc(CNc2ccc(OCC(F)(F)F)nc2)s1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is XSUZQRAJRZEWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3OS/c1-14(2,3)13-21-8-11(23-13)7-19-10-4-5-12(20-6-10)22-9-15(16,17)18/h4-6,8,19H,7,9H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 345.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 71879498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).