3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide

C27H27N3O4S — CID 108770590

IUPAC3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(-c3csc(-c4ccncc4)n3)c2)cc(OCC)c1OCC
InChIInChI=1S/C27H27N3O4S/c1-4-32-23-15-20(16-24(33-5-2)25(23)34-6-3)26(31)29-21-9-7-8-19(14-21)22-17-35-27(30-22)18-10-12-28-13-11-18/h7-17H,4-6H2,1-3H3,(H,29,31)
InChIKeyILCABSXBNWATJM-UHFFFAOYSA-N
MW489.60 g/mol
LogP6.32
Rot. Bonds10

About 3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide

3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 108770590) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID108770590
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC Name3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(-c3csc(-c4ccncc4)n3)c2)cc(OCC)c1OCC
InChIInChI=1S/C27H27N3O4S/c1-4-32-23-15-20(16-24(33-5-2)25(23)34-6-3)26(31)29-21-9-7-8-19(14-21)22-17-35-27(30-22)18-10-12-28-13-11-18/h7-17H,4-6H2,1-3H3,(H,29,31)
InChIKeyILCABSXBNWATJM-UHFFFAOYSA-N
XLogP6.32
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770580
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 27652156
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748751
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 5147525
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748690
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 108770590) is 3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide is CCOc1cc(C(=O)Nc2cccc(-c3csc(-c4ccncc4)n3)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is ILCABSXBNWATJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-4-32-23-15-20(16-24(33-5-2)25(23)34-6-3)26(31)29-21-9-7-8-19(14-21)22-17-35-27(30-22)18-10-12-28-13-11-18/h7-17H,4-6H2,1-3H3,(H,29,31).
What are the key properties of 3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide?
3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 489.60 g/mol, XLogP of 6.32, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 108770590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).