methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate

C18H15FN2O4S — CID 177139361

IUPACmethyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate
SMILESCOC(=O)c1c(F)cccc1NC(=O)c1c(OC)ccc2nc(C)sc12
InChIInChI=1S/C18H15FN2O4S/c1-9-20-12-7-8-13(24-2)15(16(12)26-9)17(22)21-11-6-4-5-10(19)14(11)18(23)25-3/h4-8H,1-3H3,(H,21,22)
InChIKeySQXNWRKMISVBTG-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.79
Rot. Bonds4

About methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate

methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate (PubChem CID 177139361) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate
PubChem CID177139361
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Namemethyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate
SMILESCOC(=O)c1c(F)cccc1NC(=O)c1c(OC)ccc2nc(C)sc12
InChIInChI=1S/C18H15FN2O4S/c1-9-20-12-7-8-13(24-2)15(16(12)26-9)17(22)21-11-6-4-5-10(19)14(11)18(23)25-3/h4-8H,1-3H3,(H,21,22)
InChIKeySQXNWRKMISVBTG-UHFFFAOYSA-N
XLogP3.79
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate with MolForge

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Related Compounds

2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]-6-phosphanylbenzoic acid
CID 177139035
N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-6-propan-2-yloxy-1,3-benzothiazole-7-carboxamide
CID 177139270
N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide
CID 113265347
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
2-(2-fluoro-6-methoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42535275
2-fluoro-N-(4-fluoro-2-iodophenyl)-6-methoxybenzamide
CID 79766807
N-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-5-methoxyphenyl]-6-methoxy-2-methyl-1,3-benzothiazole-7-carboxamide;3,5-dimethyloxane
CID 177139420
1-methoxy-2,4-dimethylheptane;5-methoxy-2-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoic acid
CID 177139329
methyl 2-fluoro-6-(2-methylbutanoylamino)benzoate
CID 144566925
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687
2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2086523
2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953256

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate (CID 177139361) is methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate is COC(=O)c1c(F)cccc1NC(=O)c1c(OC)ccc2nc(C)sc12.
What is the InChIKey of methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate?
The InChIKey is SQXNWRKMISVBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c1-9-20-12-7-8-13(24-2)15(16(12)26-9)17(22)21-11-6-4-5-10(19)14(11)18(23)25-3/h4-8H,1-3H3,(H,21,22).
What are the key properties of methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate?
methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate has a molecular weight of 374.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-[(6-methoxy-2-methyl-1,3-benzothiazole-7-carbonyl)amino]benzoate is sourced from PubChem (CID 177139361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).