2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide

C12H9ClF2N2OS — CID 43320053

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)Nc1cc(F)ccc1F
InChIInChI=1S/C12H9ClF2N2OS/c13-5-8-6-19-12(16-8)4-11(18)17-10-3-7(14)1-2-9(10)15/h1-3,6H,4-5H2,(H,17,18)
InChIKeyMGCURQRKFKDUPH-UHFFFAOYSA-N
MW302.73 g/mol
LogP3.34
Rot. Bonds4

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide (PubChem CID 43320053) has the molecular formula C12H9ClF2N2OS and a molecular weight of 302.73 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide
PubChem CID43320053
Molecular FormulaC12H9ClF2N2OS
Molecular Weight302.73 g/mol
Exact Mass302.01
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)Nc1cc(F)ccc1F
InChIInChI=1S/C12H9ClF2N2OS/c13-5-8-6-19-12(16-8)4-11(18)17-10-3-7(14)1-2-9(10)15/h1-3,6H,4-5H2,(H,17,18)
InChIKeyMGCURQRKFKDUPH-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 53.34
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-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 107629357
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812228
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 43320091
N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 43320043
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-tribromophenyl)acetamide
CID 43319976
methyl 3-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 43137996
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 43320061
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 62872274
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide
CID 43319978

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide (CID 43320053) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide is O=C(Cc1nc(CCl)cs1)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is MGCURQRKFKDUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2OS/c13-5-8-6-19-12(16-8)4-11(18)17-10-3-7(14)1-2-9(10)15/h1-3,6H,4-5H2,(H,17,18).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 302.73 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 43320053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).