N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide

C22H23FN2O2S — CID 46943505

IUPACN,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide
SMILESCCN(CC)C(=O)c1cccc(-c2csc(C(C)(O)c3cccc(F)c3)n2)c1
InChIInChI=1S/C22H23FN2O2S/c1-4-25(5-2)20(26)16-9-6-8-15(12-16)19-14-28-21(24-19)22(3,27)17-10-7-11-18(23)13-17/h6-14,27H,4-5H2,1-3H3
InChIKeyUZQLWVMQJIDAJP-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.69
Rot. Bonds6

About N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide

N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide (PubChem CID 46943505) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide
PubChem CID46943505
Molecular FormulaC22H23FN2O2S
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC NameN,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide
SMILESCCN(CC)C(=O)c1cccc(-c2csc(C(C)(O)c3cccc(F)c3)n2)c1
InChIInChI=1S/C22H23FN2O2S/c1-4-25(5-2)20(26)16-9-6-8-15(12-16)19-14-28-21(24-19)22(3,27)17-10-7-11-18(23)13-17/h6-14,27H,4-5H2,1-3H3
InChIKeyUZQLWVMQJIDAJP-UHFFFAOYSA-N
XLogP4.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide (CID 46943505) is N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide is CCN(CC)C(=O)c1cccc(-c2csc(C(C)(O)c3cccc(F)c3)n2)c1.
What is the InChIKey of N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide?
The InChIKey is UZQLWVMQJIDAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c1-4-25(5-2)20(26)16-9-6-8-15(12-16)19-14-28-21(24-19)22(3,27)17-10-7-11-18(23)13-17/h6-14,27H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide?
N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide has a molecular weight of 398.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 46943505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).