1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one

C23H21NO5S — CID 159876818

IUPAC1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one
SMILESCOc1ccc(OC)c(-c2csc(CC(=O)Cc3coc4cc(OC)ccc34)n2)c1
InChIInChI=1S/C23H21NO5S/c1-26-16-5-7-21(28-3)19(10-16)20-13-30-23(24-20)9-15(25)8-14-12-29-22-11-17(27-2)4-6-18(14)22/h4-7,10-13H,8-9H2,1-3H3
InChIKeyNSZWJKBNRUMHJJ-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.94
Rot. Bonds8

About 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one

1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one (PubChem CID 159876818) has the molecular formula C23H21NO5S and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one
PubChem CID159876818
Molecular FormulaC23H21NO5S
Molecular Weight423.49 g/mol
Exact Mass423.11
IUPAC Name1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one
SMILESCOc1ccc(OC)c(-c2csc(CC(=O)Cc3coc4cc(OC)ccc34)n2)c1
InChIInChI=1S/C23H21NO5S/c1-26-16-5-7-21(28-3)19(10-16)20-13-30-23(24-20)9-15(25)8-14-12-29-22-11-17(27-2)4-6-18(14)22/h4-7,10-13H,8-9H2,1-3H3
InChIKeyNSZWJKBNRUMHJJ-UHFFFAOYSA-N
XLogP4.94
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one with MolForge

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Related Compounds

1-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one
CID 159256452
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
2-(6-methoxy-1-benzofuran-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 24509636
4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
5-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 53331370
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120
N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 51333318

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one?
The IUPAC name of 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one (CID 159876818) is 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one.
What is the SMILES notation for 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one?
The canonical SMILES for 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one is COc1ccc(OC)c(-c2csc(CC(=O)Cc3coc4cc(OC)ccc34)n2)c1.
What is the InChIKey of 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one?
The InChIKey is NSZWJKBNRUMHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5S/c1-26-16-5-7-21(28-3)19(10-16)20-13-30-23(24-20)9-15(25)8-14-12-29-22-11-17(27-2)4-6-18(14)22/h4-7,10-13H,8-9H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one?
1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one has a molecular weight of 423.49 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one is sourced from PubChem (CID 159876818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).