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

C11H8ClFN2OS — CID 1133114

IUPAC2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H8ClFN2OS/c12-5-10(16)15-11-14-9(6-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,14,15,16)
InChIKeyWZAPOTONSHTHMJ-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.13
Rot. Bonds3

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

2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1133114) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1133114
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC Name2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H8ClFN2OS/c12-5-10(16)15-11-14-9(6-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,14,15,16)
InChIKeyWZAPOTONSHTHMJ-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.13
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-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 63679014
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502620
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1193133
2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 164888892
2-(2-bromophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178781

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 1133114) is 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CCl)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is WZAPOTONSHTHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c12-5-10(16)15-11-14-9(6-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,14,15,16).
What are the key properties of 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 270.72 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1133114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).