N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

C19H12IN3O3S — CID 17127294

IUPACN-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc(I)cc1
InChIInChI=1S/C19H12IN3O3S/c20-12-5-3-11(4-6-12)17(24)21-13-7-8-14-16(10-13)27-19(22-14)23-18(25)15-2-1-9-26-15/h1-10H,(H,21,24)(H,22,23,25)
InChIKeyPNYXIFNTMOZTQG-UHFFFAOYSA-N
MW489.29 g/mol
LogP5.00
Rot. Bonds4

About N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide

N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide (PubChem CID 17127294) has the molecular formula C19H12IN3O3S and a molecular weight of 489.29 g/mol. Its IUPAC name is N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
PubChem CID17127294
Molecular FormulaC19H12IN3O3S
Molecular Weight489.29 g/mol
Exact Mass488.96
IUPAC NameN-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc(I)cc1
InChIInChI=1S/C19H12IN3O3S/c20-12-5-3-11(4-6-12)17(24)21-13-7-8-14-16(10-13)27-19(22-14)23-18(25)15-2-1-9-26-15/h1-10H,(H,21,24)(H,22,23,25)
InChIKeyPNYXIFNTMOZTQG-UHFFFAOYSA-N
XLogP5.00
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.29
LogP ≤ 55.00
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-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 9193366
N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127363
N-[6-[(2-methoxybenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127300
N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 172755506
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide
CID 17127399
ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 646260
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-[6-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 172862972
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851453
N-[6-[(2,4-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127453

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide (CID 17127294) is N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide is O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc(I)cc1.
What is the InChIKey of N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
The InChIKey is PNYXIFNTMOZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12IN3O3S/c20-12-5-3-11(4-6-12)17(24)21-13-7-8-14-16(10-13)27-19(22-14)23-18(25)15-2-1-9-26-15/h1-10H,(H,21,24)(H,22,23,25).
What are the key properties of N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide?
N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide has a molecular weight of 489.29 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 17127294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).