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

C15H12ClFN4OS — CID 53178286

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
SMILESCc1csc(-c2cn(CC(=O)Nc3ccc(F)c(Cl)c3)cn2)n1
InChIInChI=1S/C15H12ClFN4OS/c1-9-7-23-15(19-9)13-5-21(8-18-13)6-14(22)20-10-2-3-12(17)11(16)4-10/h2-5,7-8H,6H2,1H3,(H,20,22)
InChIKeyYLHBLNZTXZAIGI-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.75
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide (PubChem CID 53178286) has the molecular formula C15H12ClFN4OS and a molecular weight of 350.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
PubChem CID53178286
Molecular FormulaC15H12ClFN4OS
Molecular Weight350.81 g/mol
Exact Mass350.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide
SMILESCc1csc(-c2cn(CC(=O)Nc3ccc(F)c(Cl)c3)cn2)n1
InChIInChI=1S/C15H12ClFN4OS/c1-9-7-23-15(19-9)13-5-21(8-18-13)6-14(22)20-10-2-3-12(17)11(16)4-10/h2-5,7-8H,6H2,1H3,(H,20,22)
InChIKeyYLHBLNZTXZAIGI-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide (CID 53178286) is N-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide is Cc1csc(-c2cn(CC(=O)Nc3ccc(F)c(Cl)c3)cn2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
The InChIKey is YLHBLNZTXZAIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4OS/c1-9-7-23-15(19-9)13-5-21(8-18-13)6-14(22)20-10-2-3-12(17)11(16)4-10/h2-5,7-8H,6H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide has a molecular weight of 350.81 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 53178286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).