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

C6H5F2IN2OS — CID 155193936

IUPACN-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)F)c(I)s1
InChIInChI=1S/C6H5F2IN2OS/c1-2(12)10-6-11-3(4(7)8)5(9)13-6/h4H,1H3,(H,10,11,12)
InChIKeyGXFLJDHAVMMZKA-UHFFFAOYSA-N
MW318.09 g/mol
LogP2.64
Rot. Bonds2

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

N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide (PubChem CID 155193936) has the molecular formula C6H5F2IN2OS and a molecular weight of 318.09 g/mol. Its IUPAC name is N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide
PubChem CID155193936
Molecular FormulaC6H5F2IN2OS
Molecular Weight318.09 g/mol
Exact Mass317.91
IUPAC NameN-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)F)c(I)s1
InChIInChI=1S/C6H5F2IN2OS/c1-2(12)10-6-11-3(4(7)8)5(9)13-6/h4H,1H3,(H,10,11,12)
InChIKeyGXFLJDHAVMMZKA-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
N-(5-Iodo-4-methyl-2-thiazolyl)acetamide
CID 57417074
2,2,2-Trifluoro-N-[4-(trifluoromethyl)-2-thiazolyl]acetamide
CID 15710699
2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]acetamide
CID 21780306
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)acetamide
CID 822437
2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide
CID 15710709
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 12954382
2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 57021058
N-(4-(fluoromethyl)thiazol-2-yl)acetamide
CID 59293708
N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 155193876
N-[5-amino-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 166873079

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide (CID 155193936) is N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(F)F)c(I)s1.
What is the InChIKey of N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide?
The InChIKey is GXFLJDHAVMMZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2IN2OS/c1-2(12)10-6-11-3(4(7)8)5(9)13-6/h4H,1H3,(H,10,11,12).
What are the key properties of N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide?
N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide has a molecular weight of 318.09 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155193936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).