2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

C17H15N3O3S — CID 22581346

IUPAC2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1OC
InChIInChI=1S/C17H15N3O3S/c1-22-14-5-3-4-12(15(14)23-2)16(21)20-17-19-13(10-24-17)11-6-8-18-9-7-11/h3-10H,1-2H3,(H,19,20,21)
InChIKeyHENBZAOLQVSSDN-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.47
Rot. Bonds5

About 2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 22581346) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID22581346
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1OC
InChIInChI=1S/C17H15N3O3S/c1-22-14-5-3-4-12(15(14)23-2)16(21)20-17-19-13(10-24-17)11-6-8-18-9-7-11/h3-10H,1-2H3,(H,19,20,21)
InChIKeyHENBZAOLQVSSDN-UHFFFAOYSA-N
XLogP3.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate
CID 7532996
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 19582579
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55341280
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 9111057
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 8702490
N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622
2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7243954
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2,3-dimethoxybenzoate
CID 2503288
2,3,4-trimethoxy-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8914262

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide (CID 22581346) is 2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is HENBZAOLQVSSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-14-5-3-4-12(15(14)23-2)16(21)20-17-19-13(10-24-17)11-6-8-18-9-7-11/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide?
2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 341.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22581346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).