[2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol

C25H25N3O2S — CID 59128999

IUPAC[2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(-c2ccccc2CO)cs1
InChIInChI=1S/C25H25N3O2S/c1-25(2,3)19-11-6-7-13-22(19)30-23-20(12-8-14-26-23)27-24-28-21(16-31-24)18-10-5-4-9-17(18)15-29/h4-14,16,29H,15H2,1-3H3,(H,27,28)
InChIKeyIJVHHFXSRJGHAL-UHFFFAOYSA-N
MW431.56 g/mol
LogP6.53
Rot. Bonds6

About [2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol

[2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol (PubChem CID 59128999) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is [2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol
PubChem CID59128999
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name[2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(-c2ccccc2CO)cs1
InChIInChI=1S/C25H25N3O2S/c1-25(2,3)19-11-6-7-13-22(19)30-23-20(12-8-14-26-23)27-24-28-21(16-31-24)18-10-5-4-9-17(18)15-29/h4-14,16,29H,15H2,1-3H3,(H,27,28)
InChIKeyIJVHHFXSRJGHAL-UHFFFAOYSA-N
XLogP6.53
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol?
The IUPAC name of [2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol (CID 59128999) is [2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol?
The canonical SMILES for [2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol is CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(-c2ccccc2CO)cs1.
What is the InChIKey of [2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol?
The InChIKey is IJVHHFXSRJGHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-25(2,3)19-11-6-7-13-22(19)30-23-20(12-8-14-26-23)27-24-28-21(16-31-24)18-10-5-4-9-17(18)15-29/h4-14,16,29H,15H2,1-3H3,(H,27,28).
What are the key properties of [2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol?
[2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol has a molecular weight of 431.56 g/mol, XLogP of 6.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol is sourced from PubChem (CID 59128999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).