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

C20H19FN2OS — CID 7216627

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1C
InChIInChI=1S/C20H19FN2OS/c1-13-6-7-15(10-14(13)2)19(24)22-9-8-18-12-25-20(23-18)16-4-3-5-17(21)11-16/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)
InChIKeyXRZGACQQYURVTP-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.54
Rot. Bonds5

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

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide (PubChem CID 7216627) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide
PubChem CID7216627
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1C
InChIInChI=1S/C20H19FN2OS/c1-13-6-7-15(10-14(13)2)19(24)22-9-8-18-12-25-20(23-18)16-4-3-5-17(21)11-16/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)
InChIKeyXRZGACQQYURVTP-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
4-(2-{[(Propylsulfonyl)amino]methyl}-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzamide
CID 73505035
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
2-chloro-6-fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7522100
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(1,4-dimethylpiperidin-4-yl)-1,3-thiazol-4-yl]benzamide
CID 11641509
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]benzamide
CID 11705688
N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 1331233
N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 2986205
N-(4-(2,4-Dimethylphenyl)-2-thiazolyl)benzamide
CID 959043
2-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473490

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide (CID 7216627) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1C.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide?
The InChIKey is XRZGACQQYURVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-13-6-7-15(10-14(13)2)19(24)22-9-8-18-12-25-20(23-18)16-4-3-5-17(21)11-16/h3-7,10-12H,8-9H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.54, 5 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]-3,4-dimethylbenzamide is sourced from PubChem (CID 7216627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).