N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide

C15H12FN3O2S2 — CID 22971261

IUPACN-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2ncc(-c3ccccc3F)o2)s1
InChIInChI=1S/C15H12FN3O2S2/c1-9(20)19-15-18-7-14(23-15)22-8-13-17-6-12(21-13)10-4-2-3-5-11(10)16/h2-7H,8H2,1H3,(H,18,19,20)
InChIKeyQMLYNWXPKCDNAL-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.19
Rot. Bonds5

About N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22971261) has the molecular formula C15H12FN3O2S2 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22971261
Molecular FormulaC15H12FN3O2S2
Molecular Weight349.41 g/mol
Exact Mass349.04
IUPAC NameN-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2ncc(-c3ccccc3F)o2)s1
InChIInChI=1S/C15H12FN3O2S2/c1-9(20)19-15-18-7-14(23-15)22-8-13-17-6-12(21-13)10-4-2-3-5-11(10)16/h2-7H,8H2,1H3,(H,18,19,20)
InChIKeyQMLYNWXPKCDNAL-UHFFFAOYSA-N
XLogP4.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22971261) is N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(SCc2ncc(-c3ccccc3F)o2)s1.
What is the InChIKey of N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QMLYNWXPKCDNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S2/c1-9(20)19-15-18-7-14(23-15)22-8-13-17-6-12(21-13)10-4-2-3-5-11(10)16/h2-7H,8H2,1H3,(H,18,19,20).
What are the key properties of N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22971261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).