2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide

C16H18ClFN2OS — CID 91783367

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCCc1nc(C)c(CNC(=O)Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C16H18ClFN2OS/c1-3-5-16-20-10(2)14(22-16)9-19-15(21)8-11-12(17)6-4-7-13(11)18/h4,6-7H,3,5,8-9H2,1-2H3,(H,19,21)
InChIKeyHYZTXQVGUQOKAE-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.06
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 91783367) has the molecular formula C16H18ClFN2OS and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID91783367
Molecular FormulaC16H18ClFN2OS
Molecular Weight340.85 g/mol
Exact Mass340.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCCc1nc(C)c(CNC(=O)Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C16H18ClFN2OS/c1-3-5-16-20-10(2)14(22-16)9-19-15(21)8-11-12(17)6-4-7-13(11)18/h4,6-7H,3,5,8-9H2,1-2H3,(H,19,21)
InChIKeyHYZTXQVGUQOKAE-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123703
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea
CID 131936227
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
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2-(2-chloro-6-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63310904
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159
1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea
CID 7964165
2-(2-chloro-6-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18229081
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 8750460
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114758055
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352101

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide (CID 91783367) is 2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide is CCCc1nc(C)c(CNC(=O)Cc2c(F)cccc2Cl)s1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is HYZTXQVGUQOKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2OS/c1-3-5-16-20-10(2)14(22-16)9-19-15(21)8-11-12(17)6-4-7-13(11)18/h4,6-7H,3,5,8-9H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 340.85 g/mol, XLogP of 4.06, 6 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-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91783367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).