2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide

C21H16FN3OS — CID 30941352

IUPAC2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)Nc1cccc2ccccc12
InChIInChI=1S/C21H16FN3OS/c22-15-8-10-16(11-9-15)23-21-24-17(13-27-21)12-20(26)25-19-7-3-5-14-4-1-2-6-18(14)19/h1-11,13H,12H2,(H,23,24)(H,25,26)
InChIKeyKQKJDQFKHNKYLE-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.36
Rot. Bonds5

About 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide

2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide (PubChem CID 30941352) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide
PubChem CID30941352
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC Name2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)Nc1cccc2ccccc12
InChIInChI=1S/C21H16FN3OS/c22-15-8-10-16(11-9-15)23-21-24-17(13-27-21)12-20(26)25-19-7-3-5-14-4-1-2-6-18(14)19/h1-11,13H,12H2,(H,23,24)(H,25,26)
InChIKeyKQKJDQFKHNKYLE-UHFFFAOYSA-N
XLogP5.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941160
N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941377
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27377889
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-fluoroanilino)benzamide
CID 18139533
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
N-(3-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211916
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228611
2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-naphthalen-1-ylacetamide
CID 82155136
N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453444
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide (CID 30941352) is 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide is O=C(Cc1csc(Nc2ccc(F)cc2)n1)Nc1cccc2ccccc12.
What is the InChIKey of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is KQKJDQFKHNKYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c22-15-8-10-16(11-9-15)23-21-24-17(13-27-21)12-20(26)25-19-7-3-5-14-4-1-2-6-18(14)19/h1-11,13H,12H2,(H,23,24)(H,25,26).
What are the key properties of 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide?
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 377.44 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 30941352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).