N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide

C14H15FN2OS — CID 881640

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide
SMILESCC(C)(C)c1csc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2OS/c1-14(2,3)11-8-19-13(16-11)17-12(18)9-5-4-6-10(15)7-9/h4-8H,1-3H3,(H,16,17,18)
InChIKeyYTTAGQBQBWNSSS-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.83
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide (PubChem CID 881640) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide
PubChem CID881640
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide
SMILESCC(C)(C)c1csc(NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2OS/c1-14(2,3)11-8-19-13(16-11)17-12(18)9-5-4-6-10(15)7-9/h4-8H,1-3H3,(H,16,17,18)
InChIKeyYTTAGQBQBWNSSS-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide (CID 881640) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide is CC(C)(C)c1csc(NC(=O)c2cccc(F)c2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide?
The InChIKey is YTTAGQBQBWNSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-14(2,3)11-8-19-13(16-11)17-12(18)9-5-4-6-10(15)7-9/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide has a molecular weight of 278.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 881640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).