N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide

C24H23N3O4S2 — CID 67262712

IUPACN-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
SMILESCOc1cccc(-c2scnc2C(=O)N2CCSC2CNC(=O)c2cccc3c2CCO3)c1
InChIInChI=1S/C24H23N3O4S2/c1-30-16-5-2-4-15(12-16)22-21(26-14-33-22)24(29)27-9-11-32-20(27)13-25-23(28)18-6-3-7-19-17(18)8-10-31-19/h2-7,12,14,20H,8-11,13H2,1H3,(H,25,28)
InChIKeyHHRFAHWQRAWNDI-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.70
Rot. Bonds6

About N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide

N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide (PubChem CID 67262712) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
PubChem CID67262712
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC NameN-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
SMILESCOc1cccc(-c2scnc2C(=O)N2CCSC2CNC(=O)c2cccc3c2CCO3)c1
InChIInChI=1S/C24H23N3O4S2/c1-30-16-5-2-4-15(12-16)22-21(26-14-33-22)24(29)27-9-11-32-20(27)13-25-23(28)18-6-3-7-19-17(18)8-10-31-19/h2-7,12,14,20H,8-11,13H2,1H3,(H,25,28)
InChIKeyHHRFAHWQRAWNDI-UHFFFAOYSA-N
XLogP3.70
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-[2-(dimethylamino)-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 44609120
N-[[3-[5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 67262609
N-[[3-[5-(3-methoxyphenyl)-2-methyl-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide
CID 44608627
N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 67262660
2-methoxy-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyridine-3-carboxamide
CID 67262464
N-[[(1S,3S,5S)-2-[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 67081504
N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 25182669
tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 54010314
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67262517
N-[[(2S,3aS,6aS)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 25147776
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 1024182
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67262580

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
The IUPAC name of N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide (CID 67262712) is N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
The canonical SMILES for N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide is COc1cccc(-c2scnc2C(=O)N2CCSC2CNC(=O)c2cccc3c2CCO3)c1.
What is the InChIKey of N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
The InChIKey is HHRFAHWQRAWNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-30-16-5-2-4-15(12-16)22-21(26-14-33-22)24(29)27-9-11-32-20(27)13-25-23(28)18-6-3-7-19-17(18)8-10-31-19/h2-7,12,14,20H,8-11,13H2,1H3,(H,25,28).
What are the key properties of N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide?
N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide is sourced from PubChem (CID 67262712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).