2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone

C13H13F2N5O2S — CID 581422

IUPAC2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C13H13F2N5O2S/c14-9-1-2-11(10(15)7-9)20-13(16-17-18-20)23-8-12(21)19-3-5-22-6-4-19/h1-2,7H,3-6,8H2
InChIKeyAMJUAXJMLNGJEZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP0.89
Rot. Bonds4

About 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone

2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 581422) has the molecular formula C13H13F2N5O2S and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID581422
Molecular FormulaC13H13F2N5O2S
Molecular Weight341.34 g/mol
Exact Mass341.08
IUPAC Name2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C13H13F2N5O2S/c14-9-1-2-11(10(15)7-9)20-13(16-17-18-20)23-8-12(21)19-3-5-22-6-4-19/h1-2,7H,3-6,8H2
InChIKeyAMJUAXJMLNGJEZ-UHFFFAOYSA-N
XLogP0.89
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone (CID 581422) is 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone is O=C(CSc1nnnn1-c1ccc(F)cc1F)N1CCOCC1.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is AMJUAXJMLNGJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O2S/c14-9-1-2-11(10(15)7-9)20-13(16-17-18-20)23-8-12(21)19-3-5-22-6-4-19/h1-2,7H,3-6,8H2.
What are the key properties of 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone?
2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 341.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 581422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).