2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

C15H14FN3O3S — CID 72719977

IUPAC2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C15H14FN3O3S/c16-9-3-5-10(6-4-9)22-8-12(20)19-15-18-11-2-1-7-17-14(21)13(11)23-15/h3-6H,1-2,7-8H2,(H,17,21)(H,18,19,20)
InChIKeyTWORLMJVWAHRER-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.98
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (PubChem CID 72719977) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
PubChem CID72719977
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C15H14FN3O3S/c16-9-3-5-10(6-4-9)22-8-12(20)19-15-18-11-2-1-7-17-14(21)13(11)23-15/h3-6H,1-2,7-8H2,(H,17,21)(H,18,19,20)
InChIKeyTWORLMJVWAHRER-UHFFFAOYSA-N
XLogP1.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (CID 72719977) is 2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is O=C(COc1ccc(F)cc1)Nc1nc2c(s1)C(=O)NCCC2.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The InChIKey is TWORLMJVWAHRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c16-9-3-5-10(6-4-9)22-8-12(20)19-15-18-11-2-1-7-17-14(21)13(11)23-15/h3-6H,1-2,7-8H2,(H,17,21)(H,18,19,20).
What are the key properties of 2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is sourced from PubChem (CID 72719977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).