4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide

C20H13FN2OS — CID 694785

IUPAC4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(F)cc1
InChIInChI=1S/C20H13FN2OS/c21-15-10-8-14(9-11-15)19(24)23-20-22-18(12-25-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H,22,23,24)
InChIKeyPFGLNAIANHLHRW-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.35
Rot. Bonds3

About 4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide

4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 694785) has the molecular formula C20H13FN2OS and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
PubChem CID694785
Molecular FormulaC20H13FN2OS
Molecular Weight348.40 g/mol
Exact Mass348.07
IUPAC Name4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(F)cc1
InChIInChI=1S/C20H13FN2OS/c21-15-10-8-14(9-11-15)19(24)23-20-22-18(12-25-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H,22,23,24)
InChIKeyPFGLNAIANHLHRW-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate
CID 1477063
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide
CID 21240087
4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 4280238
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 4673623
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5066416

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide (CID 694785) is 4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PFGLNAIANHLHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2OS/c21-15-10-8-14(9-11-15)19(24)23-20-22-18(12-25-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H,22,23,24).
What are the key properties of 4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide?
4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 348.40 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 694785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).