2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide

C6H4Cl4N2OS — CID 108745925

IUPAC2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Nc1nc(CCl)cs1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H4Cl4N2OS/c7-1-3-2-14-5(11-3)12-4(13)6(8,9)10/h2H,1H2,(H,11,12,13)
InChIKeyPIVWCXICZOUMES-UHFFFAOYSA-N
MW293.99 g/mol
LogP3.19
Rot. Bonds2

About 2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide

2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 108745925) has the molecular formula C6H4Cl4N2OS and a molecular weight of 293.99 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID108745925
Molecular FormulaC6H4Cl4N2OS
Molecular Weight293.99 g/mol
Exact Mass291.88
IUPAC Name2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Nc1nc(CCl)cs1)C(Cl)(Cl)Cl
InChIInChI=1S/C6H4Cl4N2OS/c7-1-3-2-14-5(11-3)12-4(13)6(8,9)10/h2H,1H2,(H,11,12,13)
InChIKeyPIVWCXICZOUMES-UHFFFAOYSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylbutanamide
CID 62679182
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 43140266
2-bromo-N-[4-(chloromethyl)-1,3-thiazol-2-yl]butanamide
CID 108745941
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763
N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 65215041
N-[4-(chloromethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 108745940
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-iodothiophene-3-carboxamide
CID 79692806
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
CID 103164434
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 108745935
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 43140302
N-[2-[[4-(chloromethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 108768191

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide (CID 108745925) is 2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide is O=C(Nc1nc(CCl)cs1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PIVWCXICZOUMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl4N2OS/c7-1-3-2-14-5(11-3)12-4(13)6(8,9)10/h2H,1H2,(H,11,12,13).
What are the key properties of 2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 293.99 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 108745925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).