N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide

C20H19FN2O3S — CID 71795515

IUPACN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2sc(-c3ccccc3F)nc2C)c1OC
InChIInChI=1S/C20H19FN2O3S/c1-12-17(27-20(23-12)13-7-4-5-9-15(13)21)11-22-19(24)14-8-6-10-16(25-2)18(14)26-3/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyGQBHSASFFFHTTJ-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.20
Rot. Bonds6

About N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide

N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide (PubChem CID 71795515) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide
PubChem CID71795515
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC NameN-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCc2sc(-c3ccccc3F)nc2C)c1OC
InChIInChI=1S/C20H19FN2O3S/c1-12-17(27-20(23-12)13-7-4-5-9-15(13)21)11-22-19(24)14-8-6-10-16(25-2)18(14)26-3/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyGQBHSASFFFHTTJ-UHFFFAOYSA-N
XLogP4.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)benzamide
CID 71795517
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 91939231
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide
CID 7503044
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
1-(2,3-dimethoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547309
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546701
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 71795514
2-(2-methoxyphenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547098
2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 121123478
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide (CID 71795515) is N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCc2sc(-c3ccccc3F)nc2C)c1OC.
What is the InChIKey of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide?
The InChIKey is GQBHSASFFFHTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-12-17(27-20(23-12)13-7-4-5-9-15(13)21)11-22-19(24)14-8-6-10-16(25-2)18(14)26-3/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide?
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 71795515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).