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

C24H26F3N3OS — CID 59129121

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(C(F)(F)F)c(C2CCCC2)s1
InChIInChI=1S/C24H26F3N3OS/c1-23(2,3)16-11-6-7-13-18(16)31-21-17(12-8-14-28-21)29-22-30-20(24(25,26)27)19(32-22)15-9-4-5-10-15/h6-8,11-15H,4-5,9-10H2,1-3H3,(H,29,30)
InChIKeyFHZBOWHUWFWZJI-UHFFFAOYSA-N
MW461.55 g/mol
LogP8.05
Rot. Bonds5

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

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 59129121) has the molecular formula C24H26F3N3OS and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID59129121
Molecular FormulaC24H26F3N3OS
Molecular Weight461.55 g/mol
Exact Mass461.17
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(C(F)(F)F)c(C2CCCC2)s1
InChIInChI=1S/C24H26F3N3OS/c1-23(2,3)16-11-6-7-13-18(16)31-21-17(12-8-14-28-21)29-22-30-20(24(25,26)27)19(32-22)15-9-4-5-10-15/h6-8,11-15H,4-5,9-10H2,1-3H3,(H,29,30)
InChIKeyFHZBOWHUWFWZJI-UHFFFAOYSA-N
XLogP8.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.55
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-bromo-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128919
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-propyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 143693019
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128790
4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
CID 59128997
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 59129098
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
CID 59128778
4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine
CID 170985858
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59128807
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-(2,2-dimethylpropyl)-5-piperidin-1-yl-1,3-thiazol-2-amine
CID 58683641
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 59129066
2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzothiazole-4-carboxylic acid
CID 172794727
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine
CID 86250340

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 59129121) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(C(F)(F)F)c(C2CCCC2)s1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is FHZBOWHUWFWZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3OS/c1-23(2,3)16-11-6-7-13-18(16)31-21-17(12-8-14-28-21)29-22-30-20(24(25,26)27)19(32-22)15-9-4-5-10-15/h6-8,11-15H,4-5,9-10H2,1-3H3,(H,29,30).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 461.55 g/mol, XLogP of 8.05, 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-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59129121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).