2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C14H11FN4O3S2 — CID 21383015

IUPAC2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(COc2ccccc2F)o1)Nc1nccs1
InChIInChI=1S/C14H11FN4O3S2/c15-9-3-1-2-4-10(9)21-7-12-18-19-14(22-12)24-8-11(20)17-13-16-5-6-23-13/h1-6H,7-8H2,(H,16,17,20)
InChIKeySCMYUPGZRRASME-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.97
Rot. Bonds7

About 2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 21383015) has the molecular formula C14H11FN4O3S2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID21383015
Molecular FormulaC14H11FN4O3S2
Molecular Weight366.40 g/mol
Exact Mass366.03
IUPAC Name2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(COc2ccccc2F)o1)Nc1nccs1
InChIInChI=1S/C14H11FN4O3S2/c15-9-3-1-2-4-10(9)21-7-12-18-19-14(22-12)24-8-11(20)17-13-16-5-6-23-13/h1-6H,7-8H2,(H,16,17,20)
InChIKeySCMYUPGZRRASME-UHFFFAOYSA-N
XLogP2.97
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 21383015) is 2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nnc(COc2ccccc2F)o1)Nc1nccs1.
What is the InChIKey of 2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SCMYUPGZRRASME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3S2/c15-9-3-1-2-4-10(9)21-7-12-18-19-14(22-12)24-8-11(20)17-13-16-5-6-23-13/h1-6H,7-8H2,(H,16,17,20).
What are the key properties of 2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 366.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 21383015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).