N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide

C19H15FN2O3S2 — CID 45183075

IUPACN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ccc(-c2cc(F)cc3c2OC(CNC(=O)c2cncs2)C3)s1
InChIInChI=1S/C19H15FN2O3S2/c1-10(23)15-2-3-16(27-15)14-6-12(20)4-11-5-13(25-18(11)14)7-22-19(24)17-8-21-9-26-17/h2-4,6,8-9,13H,5,7H2,1H3,(H,22,24)
InChIKeyPNYWXEWAPFINJQ-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.95
Rot. Bonds5

About N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 45183075) has the molecular formula C19H15FN2O3S2 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID45183075
Molecular FormulaC19H15FN2O3S2
Molecular Weight402.47 g/mol
Exact Mass402.05
IUPAC NameN-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ccc(-c2cc(F)cc3c2OC(CNC(=O)c2cncs2)C3)s1
InChIInChI=1S/C19H15FN2O3S2/c1-10(23)15-2-3-16(27-15)14-6-12(20)4-11-5-13(25-18(11)14)7-22-19(24)17-8-21-9-26-17/h2-4,6,8-9,13H,5,7H2,1H3,(H,22,24)
InChIKeyPNYWXEWAPFINJQ-UHFFFAOYSA-N
XLogP3.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide (CID 45183075) is N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide is CC(=O)c1ccc(-c2cc(F)cc3c2OC(CNC(=O)c2cncs2)C3)s1.
What is the InChIKey of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PNYWXEWAPFINJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S2/c1-10(23)15-2-3-16(27-15)14-6-12(20)4-11-5-13(25-18(11)14)7-22-19(24)17-8-21-9-26-17/h2-4,6,8-9,13H,5,7H2,1H3,(H,22,24).
What are the key properties of N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45183075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).