N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide

C20H18FN3O2S — CID 110351853

IUPACN-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
SMILESCC(=O)Nc1ccc(-c2csc(CCNC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H18FN3O2S/c1-13(25)23-17-8-4-14(5-9-17)18-12-27-19(24-18)10-11-22-20(26)15-2-6-16(21)7-3-15/h2-9,12H,10-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyZXAHQRFBUGMCMQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.88
Rot. Bonds6

About N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide

N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide (PubChem CID 110351853) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
PubChem CID110351853
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
SMILESCC(=O)Nc1ccc(-c2csc(CCNC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H18FN3O2S/c1-13(25)23-17-8-4-14(5-9-17)18-12-27-19(24-18)10-11-22-20(26)15-2-6-16(21)7-3-15/h2-9,12H,10-11H2,1H3,(H,22,26)(H,23,25)
InChIKeyZXAHQRFBUGMCMQ-UHFFFAOYSA-N
XLogP3.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110351804
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
N-(4-acetamidobutyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 110609845
N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 127048131
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide (CID 110351853) is N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide is CC(=O)Nc1ccc(-c2csc(CCNC(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide?
The InChIKey is ZXAHQRFBUGMCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-13(25)23-17-8-4-14(5-9-17)18-12-27-19(24-18)10-11-22-20(26)15-2-6-16(21)7-3-15/h2-9,12H,10-11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide?
N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide has a molecular weight of 383.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 110351853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).