2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide

C6H5F2IN2OS — CID 175702143

IUPAC2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(C(F)F)c(I)s1
InChIInChI=1S/C6H5F2IN2OS/c7-5(8)4-6(9)13-3(11-4)1-2(10)12/h5H,1H2,(H2,10,12)
InChIKeyYETBZLOKSAVZPP-UHFFFAOYSA-N
MW318.09 g/mol
LogP1.71
Rot. Bonds3

About 2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide

2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide (PubChem CID 175702143) has the molecular formula C6H5F2IN2OS and a molecular weight of 318.09 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide
PubChem CID175702143
Molecular FormulaC6H5F2IN2OS
Molecular Weight318.09 g/mol
Exact Mass317.91
IUPAC Name2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(C(F)F)c(I)s1
InChIInChI=1S/C6H5F2IN2OS/c7-5(8)4-6(9)13-3(11-4)1-2(10)12/h5H,1H2,(H2,10,12)
InChIKeyYETBZLOKSAVZPP-UHFFFAOYSA-N
XLogP1.71
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide (CID 175702143) is 2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide is NC(=O)Cc1nc(C(F)F)c(I)s1.
What is the InChIKey of 2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide?
The InChIKey is YETBZLOKSAVZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2IN2OS/c7-5(8)4-6(9)13-3(11-4)1-2(10)12/h5H,1H2,(H2,10,12).
What are the key properties of 2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide?
2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide has a molecular weight of 318.09 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 175702143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).