2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide

C23H19N3O3S — CID 108770580

IUPAC2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H19N3O3S/c1-28-19-7-4-8-20(29-2)21(19)22(27)25-17-6-3-5-16(13-17)18-14-30-23(26-18)15-9-11-24-12-10-15/h3-14H,1-2H3,(H,25,27)
InChIKeyUIJZQGIZVVCIPS-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.14
Rot. Bonds6

About 2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide

2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 108770580) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID108770580
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H19N3O3S/c1-28-19-7-4-8-20(29-2)21(19)22(27)25-17-6-3-5-16(13-17)18-14-30-23(26-18)15-9-11-24-12-10-15/h3-14H,1-2H3,(H,25,27)
InChIKeyUIJZQGIZVVCIPS-UHFFFAOYSA-N
XLogP5.14
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770590
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286197
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748751
2-(2-tert-butyl-4-methoxyphenoxy)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770648
2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108762322
3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748690
[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea
CID 169358392
1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 122285973
5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
CID 108748742

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 108770580) is 2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1cccc(-c2csc(-c3ccncc3)n2)c1.
What is the InChIKey of 2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is UIJZQGIZVVCIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-28-19-7-4-8-20(29-2)21(19)22(27)25-17-6-3-5-16(13-17)18-14-30-23(26-18)15-9-11-24-12-10-15/h3-14H,1-2H3,(H,25,27).
What are the key properties of 2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 108770580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).