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

C6H7IN2OS — CID 57417074

IUPACN-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(I)s1
InChIInChI=1S/C6H7IN2OS/c1-3-5(7)11-6(8-3)9-4(2)10/h1-2H3,(H,8,9,10)
InChIKeyBFARCRHWIUKSFT-UHFFFAOYSA-N
MW282.11 g/mol
LogP2.01
Rot. Bonds1

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

N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 57417074) has the molecular formula C6H7IN2OS and a molecular weight of 282.11 g/mol. Its IUPAC name is N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID57417074
Molecular FormulaC6H7IN2OS
Molecular Weight282.11 g/mol
Exact Mass281.93
IUPAC NameN-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(I)s1
InChIInChI=1S/C6H7IN2OS/c1-3-5(7)11-6(8-3)9-4(2)10/h1-2H3,(H,8,9,10)
InChIKeyBFARCRHWIUKSFT-UHFFFAOYSA-N
XLogP2.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide (CID 57417074) is N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nc(C)c(I)s1.
What is the InChIKey of N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BFARCRHWIUKSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2OS/c1-3-5(7)11-6(8-3)9-4(2)10/h1-2H3,(H,8,9,10).
What are the key properties of N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide?
N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 282.11 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 57417074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).