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

C11H8ClFN2OS — CID 155547658

IUPACN-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)c(F)c2)cs1
InChIInChI=1S/C11H8ClFN2OS/c1-6(16)14-11-15-10(5-17-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,15,16)
InChIKeyFTVLLEIAEUNRNB-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.56
Rot. Bonds2

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

N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 155547658) has the molecular formula C11H8ClFN2OS and a molecular weight of 270.72 g/mol. Its IUPAC name is N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID155547658
Molecular FormulaC11H8ClFN2OS
Molecular Weight270.72 g/mol
Exact Mass270.00
IUPAC NameN-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)c(F)c2)cs1
InChIInChI=1S/C11H8ClFN2OS/c1-6(16)14-11-15-10(5-17-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,15,16)
InChIKeyFTVLLEIAEUNRNB-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 155547658) is N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc(Cl)c(F)c2)cs1.
What is the InChIKey of N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FTVLLEIAEUNRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2OS/c1-6(16)14-11-15-10(5-17-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,15,16).
What are the key properties of N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 270.72 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155547658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).