N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide

C14H9IN2O2S — CID 23144669

IUPACN-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccco2)c(I)s1)c1ccccc1
InChIInChI=1S/C14H9IN2O2S/c15-12-11(10-7-4-8-19-10)16-14(20-12)17-13(18)9-5-2-1-3-6-9/h1-8H,(H,16,17,18)
InChIKeyZXRNBSUEQMQOEW-UHFFFAOYSA-N
MW396.21 g/mol
LogP4.26
Rot. Bonds3

About N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide

N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide (PubChem CID 23144669) has the molecular formula C14H9IN2O2S and a molecular weight of 396.21 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide
PubChem CID23144669
Molecular FormulaC14H9IN2O2S
Molecular Weight396.21 g/mol
Exact Mass395.94
IUPAC NameN-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccco2)c(I)s1)c1ccccc1
InChIInChI=1S/C14H9IN2O2S/c15-12-11(10-7-4-8-19-10)16-14(20-12)17-13(18)9-5-2-1-3-6-9/h1-8H,(H,16,17,18)
InChIKeyZXRNBSUEQMQOEW-UHFFFAOYSA-N
XLogP4.26
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.21
LogP ≤ 54.26
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

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 7916668
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
CID 23144525
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 7916686
N-[4-(furan-2-yl)-5-(pyrimidine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144188
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 44581364
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
CID 23144647
N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144285
N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 23144498
N-[4-(furan-2-yl)-5-piperidin-1-yl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144164
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide
CID 158305858
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide (CID 23144669) is N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccco2)c(I)s1)c1ccccc1.
What is the InChIKey of N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZXRNBSUEQMQOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O2S/c15-12-11(10-7-4-8-19-10)16-14(20-12)17-13(18)9-5-2-1-3-6-9/h1-8H,(H,16,17,18).
What are the key properties of N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide?
N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide has a molecular weight of 396.21 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 23144669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).