N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C25H22F3N3OS — CID 73345961

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(C(F)(F)F)c(-c2ccccc2)s1
InChIInChI=1S/C25H22F3N3OS/c1-24(2,3)17-12-7-8-14-19(17)32-22-18(13-9-15-29-22)30-23-31-21(25(26,27)28)20(33-23)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,30,31)
InChIKeyKNOIYFKBCGOCRX-UHFFFAOYSA-N
MW469.53 g/mol
LogP8.06
Rot. Bonds5

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 73345961) has the molecular formula C25H22F3N3OS and a molecular weight of 469.53 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID73345961
Molecular FormulaC25H22F3N3OS
Molecular Weight469.53 g/mol
Exact Mass469.14
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(C(F)(F)F)c(-c2ccccc2)s1
InChIInChI=1S/C25H22F3N3OS/c1-24(2,3)17-12-7-8-14-19(17)32-22-18(13-9-15-29-22)30-23-31-21(25(26,27)28)20(33-23)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,30,31)
InChIKeyKNOIYFKBCGOCRX-UHFFFAOYSA-N
XLogP8.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.53
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 73345961) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(C(F)(F)F)c(-c2ccccc2)s1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is KNOIYFKBCGOCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3OS/c1-24(2,3)17-12-7-8-14-19(17)32-22-18(13-9-15-29-22)30-23-31-21(25(26,27)28)20(33-23)16-10-5-4-6-11-16/h4-15H,1-3H3,(H,30,31).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 469.53 g/mol, XLogP of 8.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 73345961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).