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

C18H16N2O3S — CID 29088076

IUPAC3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cscn3)c2)cc1OC
InChIInChI=1S/C18H16N2O3S/c1-22-16-7-6-13(9-17(16)23-2)18(21)20-14-5-3-4-12(8-14)15-10-24-11-19-15/h3-11H,1-2H3,(H,20,21)
InChIKeyKOTKNPFQDXESEE-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.08
Rot. Bonds5

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

3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 29088076) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID29088076
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cscn3)c2)cc1OC
InChIInChI=1S/C18H16N2O3S/c1-22-16-7-6-13(9-17(16)23-2)18(21)20-14-5-3-4-12(8-14)15-10-24-11-19-15/h3-11H,1-2H3,(H,20,21)
InChIKeyKOTKNPFQDXESEE-UHFFFAOYSA-N
XLogP4.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966
N-(3-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55585441
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 32579219
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
3,4-dimethoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028699
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103
N-[3-[(dimethylamino)methyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86932113
N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide
CID 154810387
3,4-dimethoxy-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713719
N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110356068
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide (CID 29088076) is 3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3cscn3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is KOTKNPFQDXESEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-16-7-6-13(9-17(16)23-2)18(21)20-14-5-3-4-12(8-14)15-10-24-11-19-15/h3-11H,1-2H3,(H,20,21).
What are the key properties of 3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide?
3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 340.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 29088076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).