4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide

C18H12ClIN2O2S — CID 38937157

IUPAC4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Cl)cc1I
InChIInChI=1S/C18H12ClIN2O2S/c19-12-2-3-13(14(20)8-12)17(23)22-18-21-15(9-25-18)10-1-4-16-11(7-10)5-6-24-16/h1-4,7-9H,5-6H2,(H,21,22,23)
InChIKeyAAZBVYJZOHVSBJ-UHFFFAOYSA-N
MW482.73 g/mol
LogP5.26
Rot. Bonds3

About 4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide

4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide (PubChem CID 38937157) has the molecular formula C18H12ClIN2O2S and a molecular weight of 482.73 g/mol. Its IUPAC name is 4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide
PubChem CID38937157
Molecular FormulaC18H12ClIN2O2S
Molecular Weight482.73 g/mol
Exact Mass481.94
IUPAC Name4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Cl)cc1I
InChIInChI=1S/C18H12ClIN2O2S/c19-12-2-3-13(14(20)8-12)17(23)22-18-21-15(9-25-18)10-1-4-16-11(7-10)5-6-24-16/h1-4,7-9H,5-6H2,(H,21,22,23)
InChIKeyAAZBVYJZOHVSBJ-UHFFFAOYSA-N
XLogP5.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.73
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162603
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 17394900
4-chloro-N-[4-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 46680338
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 112808676
ethyl 6-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55632896
3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide
CID 35847762
2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119699067
N-[4-[2-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 112806765
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 75371448
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112814019
3-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162316

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The IUPAC name of 4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide (CID 38937157) is 4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide.
What is the SMILES notation for 4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The canonical SMILES for 4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide is O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(Cl)cc1I.
What is the InChIKey of 4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The InChIKey is AAZBVYJZOHVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClIN2O2S/c19-12-2-3-13(14(20)8-12)17(23)22-18-21-15(9-25-18)10-1-4-16-11(7-10)5-6-24-16/h1-4,7-9H,5-6H2,(H,21,22,23).
What are the key properties of 4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide?
4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide has a molecular weight of 482.73 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide is sourced from PubChem (CID 38937157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).