4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide

C19H16IN3O2S — CID 46629026

IUPAC4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)cc1
InChIInChI=1S/C19H16IN3O2S/c1-12(24)21-10-13-2-4-15(5-3-13)18(25)23-19-22-17(11-26-19)14-6-8-16(20)9-7-14/h2-9,11H,10H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyOEMKZNKOKAZMTC-UHFFFAOYSA-N
MW477.33 g/mol
LogP4.30
Rot. Bonds5

About 4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide

4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 46629026) has the molecular formula C19H16IN3O2S and a molecular weight of 477.33 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID46629026
Molecular FormulaC19H16IN3O2S
Molecular Weight477.33 g/mol
Exact Mass477.00
IUPAC Name4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)cc1
InChIInChI=1S/C19H16IN3O2S/c1-12(24)21-10-13-2-4-15(5-3-13)18(25)23-19-22-17(11-26-19)14-6-8-16(20)9-7-14/h2-9,11H,10H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyOEMKZNKOKAZMTC-UHFFFAOYSA-N
XLogP4.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.33
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
CID 43033822
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide
CID 25483703
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146
N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756086
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 24597214

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide (CID 46629026) is 4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide is CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is OEMKZNKOKAZMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IN3O2S/c1-12(24)21-10-13-2-4-15(5-3-13)18(25)23-19-22-17(11-26-19)14-6-8-16(20)9-7-14/h2-9,11H,10H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide?
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 477.33 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46629026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).