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

C12H10ClFN2OS — CID 2121619

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1nc(CCl)cs1)c1ccccc1F
InChIInChI=1S/C12H10ClFN2OS/c1-8(17)16(11-5-3-2-4-10(11)14)12-15-9(6-13)7-18-12/h2-5,7H,6H2,1H3
InChIKeyDKBWAVMTAZCTTP-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.71
Rot. Bonds3

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

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 2121619) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
PubChem CID2121619
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1nc(CCl)cs1)c1ccccc1F
InChIInChI=1S/C12H10ClFN2OS/c1-8(17)16(11-5-3-2-4-10(11)14)12-15-9(6-13)7-18-12/h2-5,7H,6H2,1H3
InChIKeyDKBWAVMTAZCTTP-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.71
H-Bond Donors ≤ 50
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]-N-(2-ethylphenyl)acetamide
CID 3395929
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 3864051
N-[4-(Chloromethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 306088
N-(4-methylthiazol-2-yl)-2-((2-oxo-2-(phenylamino)ethyl)thio)acetamide
CID 935327
3-{2-[N-(2-fluorophenyl)acetamido]-1,3-thiazol-4-yl}prop-2-enoic acid
CID 7363990
N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51128940
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 3865568
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 4583185
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 2392260
(2E)-3-{2-[acetyl(phenyl)amino]-1,3-thiazol-4-yl}acrylic acid
CID 2079393
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2512674
2-((6-amino-1-(4-fluorophenyl)-4-oxo-1,4-dihydropyrimidin-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7162144

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide (CID 2121619) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide is CC(=O)N(c1nc(CCl)cs1)c1ccccc1F.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is DKBWAVMTAZCTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c1-8(17)16(11-5-3-2-4-10(11)14)12-15-9(6-13)7-18-12/h2-5,7H,6H2,1H3.
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 284.74 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2121619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).