2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C14H14ClFN2OS — CID 22170794

IUPAC2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C14H14ClFN2OS/c1-8(2)12-7-17-14(20-12)18-13(19)6-9-10(15)4-3-5-11(9)16/h3-5,7-8H,6H2,1-2H3,(H,17,18,19)
InChIKeyIJVARPBVJHVCEK-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.24
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 22170794) has the molecular formula C14H14ClFN2OS and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID22170794
Molecular FormulaC14H14ClFN2OS
Molecular Weight312.80 g/mol
Exact Mass312.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C14H14ClFN2OS/c1-8(2)12-7-17-14(20-12)18-13(19)6-9-10(15)4-3-5-11(9)16/h3-5,7-8H,6H2,1-2H3,(H,17,18,19)
InChIKeyIJVARPBVJHVCEK-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 22170729
2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18093734
1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559542
2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170601
2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
CID 2471351
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 10131664
2-(3-methyl-1-benzothiophen-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170608
2-(2-chloro-6-fluorophenyl)-N-(2-ethylphenyl)acetamide
CID 839109
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 11383851
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 22170794) is 2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1cnc(NC(=O)Cc2c(F)cccc2Cl)s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IJVARPBVJHVCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2OS/c1-8(2)12-7-17-14(20-12)18-13(19)6-9-10(15)4-3-5-11(9)16/h3-5,7-8H,6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 312.80 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22170794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).