N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

C16H13FN2O3S2 — CID 51248212

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2nc(C(C)=O)cs2)sc2cccc(F)c12
InChIInChI=1S/C16H13FN2O3S2/c1-8(20)11-7-23-16(18-11)19-15(21)14-9(6-22-2)13-10(17)4-3-5-12(13)24-14/h3-5,7H,6H2,1-2H3,(H,18,19,21)
InChIKeyWEGGFBKEDPFAQT-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.10
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (PubChem CID 51248212) has the molecular formula C16H13FN2O3S2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
PubChem CID51248212
Molecular FormulaC16H13FN2O3S2
Molecular Weight364.42 g/mol
Exact Mass364.04
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2nc(C(C)=O)cs2)sc2cccc(F)c12
InChIInChI=1S/C16H13FN2O3S2/c1-8(20)11-7-23-16(18-11)19-15(21)14-9(6-22-2)13-10(17)4-3-5-12(13)24-14/h3-5,7H,6H2,1-2H3,(H,18,19,21)
InChIKeyWEGGFBKEDPFAQT-UHFFFAOYSA-N
XLogP4.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55896109
N-(2,6-dimethylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 16562791
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 16608858
N-(3,4-difluorophenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 27667570
N-(3,5-dimethylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 7668737
4-fluoro-3-(methoxymethyl)-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27666393
N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55533243
N-(2-ethyl-6-methylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 7668040
N-(3,4-dimethoxyphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 27667583
N-(2-amino-2-methylpropyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 119626513
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 51248183
4-fluoro-3-(methoxymethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 27675941

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide (CID 51248212) is N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is COCc1c(C(=O)Nc2nc(C(C)=O)cs2)sc2cccc(F)c12.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is WEGGFBKEDPFAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S2/c1-8(20)11-7-23-16(18-11)19-15(21)14-9(6-22-2)13-10(17)4-3-5-12(13)24-14/h3-5,7H,6H2,1-2H3,(H,18,19,21).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51248212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).