N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C17H14IN3O3S — CID 55374245

IUPACN-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1cc(I)ccc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C17H14IN3O3S/c1-10-7-11(18)4-5-13(10)20-15(22)8-12-9-25-17(19-12)21-16(23)14-3-2-6-24-14/h2-7,9H,8H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyYWMLVCDHNMERIK-UHFFFAOYSA-N
MW467.29 g/mol
LogP4.08
Rot. Bonds5

About N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 55374245) has the molecular formula C17H14IN3O3S and a molecular weight of 467.29 g/mol. Its IUPAC name is N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID55374245
Molecular FormulaC17H14IN3O3S
Molecular Weight467.29 g/mol
Exact Mass466.98
IUPAC NameN-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1cc(I)ccc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C17H14IN3O3S/c1-10-7-11(18)4-5-13(10)20-15(22)8-12-9-25-17(19-12)21-16(23)14-3-2-6-24-14/h2-7,9H,8H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyYWMLVCDHNMERIK-UHFFFAOYSA-N
XLogP4.08
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.29
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17449851
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208780
N-[4-[2-[2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 34755088
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 18194371
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27256446
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17416159
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647
N-[4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 25362530

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 55374245) is N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1cc(I)ccc1NC(=O)Cc1csc(NC(=O)c2ccco2)n1.
What is the InChIKey of N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is YWMLVCDHNMERIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN3O3S/c1-10-7-11(18)4-5-13(10)20-15(22)8-12-9-25-17(19-12)21-16(23)14-3-2-6-24-14/h2-7,9H,8H2,1H3,(H,20,22)(H,19,21,23).
What are the key properties of N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 467.29 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55374245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).