N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide

C16H19FN2OS — CID 7518520

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H19FN2OS/c1-16(2,3)15(20)18-8-7-13-10-21-14(19-13)11-5-4-6-12(17)9-11/h4-6,9-10H,7-8H2,1-3H3,(H,18,20)
InChIKeyTVVNQFCAXQKXRE-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.65
Rot. Bonds4

About N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 7518520) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID7518520
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H19FN2OS/c1-16(2,3)15(20)18-8-7-13-10-21-14(19-13)11-5-4-6-12(17)9-11/h4-6,9-10H,7-8H2,1-3H3,(H,18,20)
InChIKeyTVVNQFCAXQKXRE-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide (CID 7518520) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is TVVNQFCAXQKXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-16(2,3)15(20)18-8-7-13-10-21-14(19-13)11-5-4-6-12(17)9-11/h4-6,9-10H,7-8H2,1-3H3,(H,18,20).
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 7518520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).