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

C18H23FN2OS — CID 36617877

IUPAC2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide
SMILESCCCCC[C@@H](C)NC(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C18H23FN2OS/c1-3-4-5-7-13(2)20-17(22)11-16-12-23-18(21-16)14-8-6-9-15(19)10-14/h6,8-10,12-13H,3-5,7,11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyNVOCKRGNCORKAK-CYBMUJFWSA-N
MW334.46 g/mol
LogP4.58
Rot. Bonds8

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

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide (PubChem CID 36617877) has the molecular formula C18H23FN2OS and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide
PubChem CID36617877
Molecular FormulaC18H23FN2OS
Molecular Weight334.46 g/mol
Exact Mass334.15
IUPAC Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide
SMILESCCCCC[C@@H](C)NC(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C18H23FN2OS/c1-3-4-5-7-13(2)20-17(22)11-16-12-23-18(21-16)14-8-6-9-15(19)10-14/h6,8-10,12-13H,3-5,7,11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyNVOCKRGNCORKAK-CYBMUJFWSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18189684
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butan-2-ylacetamide
CID 110342259
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119639768
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 86977217
N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 119668781
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 17443007
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110026607
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide (CID 36617877) is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide is CCCCC[C@@H](C)NC(=O)Cc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide?
The InChIKey is NVOCKRGNCORKAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23FN2OS/c1-3-4-5-7-13(2)20-17(22)11-16-12-23-18(21-16)14-8-6-9-15(19)10-14/h6,8-10,12-13H,3-5,7,11H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide?
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide is sourced from PubChem (CID 36617877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).