4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

C19H15FN2O2S2 — CID 27667674

IUPAC4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2nc3ccc(C)cc3s2)sc2cccc(F)c12
InChIInChI=1S/C19H15FN2O2S2/c1-10-6-7-13-15(8-10)26-19(21-13)22-18(23)17-11(9-24-2)16-12(20)4-3-5-14(16)25-17/h3-8H,9H2,1-2H3,(H,21,22,23)
InChIKeySYQDAQMLOUYVSA-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.36
Rot. Bonds4

About 4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 27667674) has the molecular formula C19H15FN2O2S2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID27667674
Molecular FormulaC19H15FN2O2S2
Molecular Weight386.47 g/mol
Exact Mass386.06
IUPAC Name4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2nc3ccc(C)cc3s2)sc2cccc(F)c12
InChIInChI=1S/C19H15FN2O2S2/c1-10-6-7-13-15(8-10)26-19(21-13)22-18(23)17-11(9-24-2)16-12(20)4-3-5-14(16)25-17/h3-8H,9H2,1-2H3,(H,21,22,23)
InChIKeySYQDAQMLOUYVSA-UHFFFAOYSA-N
XLogP5.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide (CID 27667674) is 4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is COCc1c(C(=O)Nc2nc3ccc(C)cc3s2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is SYQDAQMLOUYVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S2/c1-10-6-7-13-15(8-10)26-19(21-13)22-18(23)17-11(9-24-2)16-12(20)4-3-5-14(16)25-17/h3-8H,9H2,1-2H3,(H,21,22,23).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 27667674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).