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

C19H18N2O4S — CID 2335842

IUPAC2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc(COc2ccccc2)cs1
InChIInChI=1S/C19H18N2O4S/c1-23-15-9-6-10-16(24-2)17(15)18(22)21-19-20-13(12-26-19)11-25-14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChIKeyIFFBSEHGHLXECR-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.99
Rot. Bonds7

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

2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2335842) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID2335842
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc(COc2ccccc2)cs1
InChIInChI=1S/C19H18N2O4S/c1-23-15-9-6-10-16(24-2)17(15)18(22)21-19-20-13(12-26-19)11-25-14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChIKeyIFFBSEHGHLXECR-UHFFFAOYSA-N
XLogP3.99
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 954627
Ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3149826
Ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 3548924
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675
3-isopropoxy-5-(4-(methylsulfonyl)phenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 9868203
4-oxo-N-(4-phenylthiazol-2-yl)-4H-chromene-2-carboxamide
CID 746084
2-(2,6-Dimethoxy-benzoylamino)-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 1120133
Ethyl [2-({[(3,5-dimethoxybenzoyl)amino]carbonothioyl}amino)-1,3-thiazol-4-yl]acetate
CID 2218770
2-methoxy-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2542040
N-(4-(4-fluorophenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3392320
2-fluoro-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 4626253

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide (CID 2335842) is 2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide is COc1cccc(OC)c1C(=O)Nc1nc(COc2ccccc2)cs1.
What is the InChIKey of 2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is IFFBSEHGHLXECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-15-9-6-10-16(24-2)17(15)18(22)21-19-20-13(12-26-19)11-25-14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,20,21,22).
What are the key properties of 2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide?
2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 370.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2335842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).