N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide

C16H20FN3OS — CID 134710256

IUPACN-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
SMILESCc1cc(F)ccc1NC(=O)CN(C)CCc1scnc1C
InChIInChI=1S/C16H20FN3OS/c1-11-8-13(17)4-5-14(11)19-16(21)9-20(3)7-6-15-12(2)18-10-22-15/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,21)
InChIKeyRYQNUAZMIYQRCT-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.01
Rot. Bonds6

About N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide

N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide (PubChem CID 134710256) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
PubChem CID134710256
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
SMILESCc1cc(F)ccc1NC(=O)CN(C)CCc1scnc1C
InChIInChI=1S/C16H20FN3OS/c1-11-8-13(17)4-5-14(11)19-16(21)9-20(3)7-6-15-12(2)18-10-22-15/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,21)
InChIKeyRYQNUAZMIYQRCT-UHFFFAOYSA-N
XLogP3.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679748
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
CID 91836808
N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide
CID 91830831
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-(2,4-difluorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 171701675
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
4-fluoro-2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110718479
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9252111
5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629676
N-(2-chloro-4-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797671
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878
2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol
CID 78998272

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide (CID 134710256) is N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide is Cc1cc(F)ccc1NC(=O)CN(C)CCc1scnc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide?
The InChIKey is RYQNUAZMIYQRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-11-8-13(17)4-5-14(11)19-16(21)9-20(3)7-6-15-12(2)18-10-22-15/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,21).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide?
N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide has a molecular weight of 321.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide is sourced from PubChem (CID 134710256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).