5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide

C20H14ClFN2O3S — CID 16561597

IUPAC5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3oc4ccc(Cl)cc4c3C)n2)cc1F
InChIInChI=1S/C20H14ClFN2O3S/c1-10-13-8-12(21)4-6-16(13)27-18(10)19(25)24-20-23-15(9-28-20)11-3-5-17(26-2)14(22)7-11/h3-9H,1-2H3,(H,23,24,25)
InChIKeyIBWNZLRYNJVLFA-UHFFFAOYSA-N
MW416.86 g/mol
LogP5.92
Rot. Bonds4

About 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 16561597) has the molecular formula C20H14ClFN2O3S and a molecular weight of 416.86 g/mol. Its IUPAC name is 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID16561597
Molecular FormulaC20H14ClFN2O3S
Molecular Weight416.86 g/mol
Exact Mass416.04
IUPAC Name5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3oc4ccc(Cl)cc4c3C)n2)cc1F
InChIInChI=1S/C20H14ClFN2O3S/c1-10-13-8-12(21)4-6-16(13)27-18(10)19(25)24-20-23-15(9-28-20)11-3-5-17(26-2)14(22)7-11/h3-9H,1-2H3,(H,23,24,25)
InChIKeyIBWNZLRYNJVLFA-UHFFFAOYSA-N
XLogP5.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7992606
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 27993274
5-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 2085590
5-ethyl-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19241157
2-(4-chlorophenoxy)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 54858677
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46668396
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55414517

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide (CID 16561597) is 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide is COc1ccc(-c2csc(NC(=O)c3oc4ccc(Cl)cc4c3C)n2)cc1F.
What is the InChIKey of 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IBWNZLRYNJVLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O3S/c1-10-13-8-12(21)4-6-16(13)27-18(10)19(25)24-20-23-15(9-28-20)11-3-5-17(26-2)14(22)7-11/h3-9H,1-2H3,(H,23,24,25).
What are the key properties of 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide?
5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 416.86 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16561597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).