N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide

C22H18I2N4O2S2 — CID 139088849

IUPACN-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(I)s1.CC(=O)Nc1nc(-c2ccccc2)c(I)s1
InChIInChI=1S/2C11H9IN2OS/c2*1-7(15)13-11-14-9(10(12)16-11)8-5-3-2-4-6-8/h2*2-6H,1H3,(H,13,14,15)
InChIKeyFTAWPSAOBIODQU-UHFFFAOYSA-N
MW688.35 g/mol
LogP6.75
Rot. Bonds4

About N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide

N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 139088849) has the molecular formula C22H18I2N4O2S2 and a molecular weight of 688.35 g/mol. Its IUPAC name is N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID139088849
Molecular FormulaC22H18I2N4O2S2
Molecular Weight688.35 g/mol
Exact Mass687.90
IUPAC NameN-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(I)s1.CC(=O)Nc1nc(-c2ccccc2)c(I)s1
InChIInChI=1S/2C11H9IN2OS/c2*1-7(15)13-11-14-9(10(12)16-11)8-5-3-2-4-6-8/h2*2-6H,1H3,(H,13,14,15)
InChIKeyFTAWPSAOBIODQU-UHFFFAOYSA-N
XLogP6.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.35
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 14201120
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 11688036
N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 11580284
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
CID 66486249
N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide
CID 1178648
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide (CID 139088849) is N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nc(-c2ccccc2)c(I)s1.CC(=O)Nc1nc(-c2ccccc2)c(I)s1.
What is the InChIKey of N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FTAWPSAOBIODQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9IN2OS/c2*1-7(15)13-11-14-9(10(12)16-11)8-5-3-2-4-6-8/h2*2-6H,1H3,(H,13,14,15).
What are the key properties of N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide?
N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 688.35 g/mol, XLogP of 6.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 139088849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).