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

C20H19FN2OS — CID 7216614

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H19FN2OS/c21-17-8-4-7-16(13-17)20-23-18(14-25-20)11-12-22-19(24)10-9-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,22,24)
InChIKeyVCNDHBNLOMUUIV-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.24
Rot. Bonds7

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

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide (PubChem CID 7216614) 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-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
PubChem CID7216614
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C20H19FN2OS/c21-17-8-4-7-16(13-17)20-23-18(14-25-20)11-12-22-19(24)10-9-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,22,24)
InChIKeyVCNDHBNLOMUUIV-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide (CID 7216614) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide?
The InChIKey is VCNDHBNLOMUUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c21-17-8-4-7-16(13-17)20-23-18(14-25-20)11-12-22-19(24)10-9-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,22,24).
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 4.24, 7 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-phenylpropanamide is sourced from PubChem (CID 7216614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).