3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide

C26H23FN2O2S — CID 2832379

IUPAC3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide
SMILESCCCc1sc(N(C(=O)c2cccc(F)c2)c2ccc(OC)cc2)nc1-c1ccccc1
InChIInChI=1S/C26H23FN2O2S/c1-3-8-23-24(18-9-5-4-6-10-18)28-26(32-23)29(21-13-15-22(31-2)16-14-21)25(30)19-11-7-12-20(27)17-19/h4-7,9-17H,3,8H2,1-2H3
InChIKeyIBSJNATYFQACCX-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.89
Rot. Bonds7

About 3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide

3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2832379) has the molecular formula C26H23FN2O2S and a molecular weight of 446.55 g/mol. Its IUPAC name is 3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide
PubChem CID2832379
Molecular FormulaC26H23FN2O2S
Molecular Weight446.55 g/mol
Exact Mass446.15
IUPAC Name3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide
SMILESCCCc1sc(N(C(=O)c2cccc(F)c2)c2ccc(OC)cc2)nc1-c1ccccc1
InChIInChI=1S/C26H23FN2O2S/c1-3-8-23-24(18-9-5-4-6-10-18)28-26(32-23)29(21-13-15-22(31-2)16-14-21)25(30)19-11-7-12-20(27)17-19/h4-7,9-17H,3,8H2,1-2H3
InChIKeyIBSJNATYFQACCX-UHFFFAOYSA-N
XLogP6.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-fluorophenyl)-2-(4-methoxy-N-(4-methoxyphenyl)anilino)-1,3-thiazol-5-yl]acetic acid
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CID 16760756
N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide
CID 2194793
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
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N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 2194632
ethyl 2-[2-(N-ethylsulfonylanilino)-4-(3-fluorophenyl)-1,3-thiazol-5-yl]acetate
CID 69402670
methyl 4-[butanoyl-[4-(4-ethoxyphenyl)-5-ethyl-1,3-thiazol-2-yl]amino]benzoate
CID 2194717
4-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propanoylamino]benzoic acid
CID 1313486
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507331
N-ethyl-3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175847
3-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 83285272
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide (CID 2832379) is 3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide is CCCc1sc(N(C(=O)c2cccc(F)c2)c2ccc(OC)cc2)nc1-c1ccccc1.
What is the InChIKey of 3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is IBSJNATYFQACCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2S/c1-3-8-23-24(18-9-5-4-6-10-18)28-26(32-23)29(21-13-15-22(31-2)16-14-21)25(30)19-11-7-12-20(27)17-19/h4-7,9-17H,3,8H2,1-2H3.
What are the key properties of 3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide?
3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 446.55 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-methoxyphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2832379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).