N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide

C19H17FN2O2S — CID 46944224

IUPACN-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(C(C)(O)c3cccc(F)c3)n2)c1
InChIInChI=1S/C19H17FN2O2S/c1-12(23)21-16-8-3-5-13(9-16)17-11-25-18(22-17)19(2,24)14-6-4-7-15(20)10-14/h3-11,24H,1-2H3,(H,21,23)
InChIKeyHGCUQQIVSAXFIF-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.16
Rot. Bonds4

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

N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 46944224) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID46944224
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(C(C)(O)c3cccc(F)c3)n2)c1
InChIInChI=1S/C19H17FN2O2S/c1-12(23)21-16-8-3-5-13(9-16)17-11-25-18(22-17)19(2,24)14-6-4-7-15(20)10-14/h3-11,24H,1-2H3,(H,21,23)
InChIKeyHGCUQQIVSAXFIF-UHFFFAOYSA-N
XLogP4.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide (CID 46944224) is N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2csc(C(C)(O)c3cccc(F)c3)n2)c1.
What is the InChIKey of N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is HGCUQQIVSAXFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-12(23)21-16-8-3-5-13(9-16)17-11-25-18(22-17)19(2,24)14-6-4-7-15(20)10-14/h3-11,24H,1-2H3,(H,21,23).
What are the key properties of N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 356.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 46944224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).