N-[4-(2,4,6-Trimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide - CAS 849513-58-2
Catalog: |
BB037380 |
Product Name: |
N-[4-(2,4,6-Trimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide |
CAS: |
849513-58-2 |
Synonyms: |
N-[4-(2,4,6-trimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide; N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide |
IUPAC Name: | N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide |
Description: | N-[4-(2,4,6-Trimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide (CAS# 849513-58-2 ) is a useful research chemical. |
Molecular Weight: | 323.41 |
Molecular Formula: | C18H17N3OS |
Canonical SMILES: | CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=CC=NC=C3)C |
InChI: | InChI=1S/C18H17N3OS/c1-11-8-12(2)16(13(3)9-11)15-10-23-18(20-15)21-17(22)14-4-6-19-7-5-14/h4-10H,1-3H3,(H,20,21,22) |
InChI Key: | RFUKJHFXBGDHNJ-UHFFFAOYSA-N |
LogP: | 4.45560 |
Publication Number | Title | Priority Date |
AU-2012345843-A1 | Improved modulators of Hec1 activity and methods therefor | 20111129 |
EP-2785714-A1 | Improved modulators of hec1 activity and methods therefor | 20111129 |
EP-2785714-B1 | Improved modulators of hec1 activity and methods therefor | 20111129 |
JP-2014534271-A | Improved modulators for HEC1 activity and methods thereof | 20111129 |
JP-5970554-B2 | Improved modulators for HEC1 activity and methods thereof | 20111129 |
Complexity: | 401 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.10923335 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.10923335 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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