1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one

C14H14FN5O2S — CID 140723888

IUPAC1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
SMILESCCc1cc(F)cc(-n2nnn(C)c2=O)c1COc1nccs1
InChIInChI=1S/C14H14FN5O2S/c1-3-9-6-10(15)7-12(20-14(21)19(2)17-18-20)11(9)8-22-13-16-4-5-23-13/h4-7H,3,8H2,1-2H3
InChIKeyKRAJFWGYFSNIEN-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.70
Rot. Bonds5

About 1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one

1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one (PubChem CID 140723888) has the molecular formula C14H14FN5O2S and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
PubChem CID140723888
Molecular FormulaC14H14FN5O2S
Molecular Weight335.36 g/mol
Exact Mass335.09
IUPAC Name1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
SMILESCCc1cc(F)cc(-n2nnn(C)c2=O)c1COc1nccs1
InChIInChI=1S/C14H14FN5O2S/c1-3-9-6-10(15)7-12(20-14(21)19(2)17-18-20)11(9)8-22-13-16-4-5-23-13/h4-7H,3,8H2,1-2H3
InChIKeyKRAJFWGYFSNIEN-UHFFFAOYSA-N
XLogP1.70
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-fluoro-3-methyl-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140723965
1-[3-ethyl-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140723864
1-[3-(difluoromethoxy)-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140723894
1-methyl-4-[2-(1,3-thiazol-2-yloxymethyl)-3-(trifluoromethoxy)phenyl]tetrazol-5-one
CID 140723829
1-[3-ethenyl-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140723950
1-methyl-4-[1-methyl-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrrol-3-yl]tetrazol-5-one
CID 140740750
1-[2-(aminooxymethyl)-5-fluoro-3-(trifluoromethoxy)phenyl]-4-methyltetrazol-5-one
CID 162543118
1-[3-ethyl-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-oxazol-5-yl]-4-methyltetrazol-5-one
CID 140740717
1-[5-bromo-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-3-yl]-4-methyltetrazol-5-one
CID 140740234
1-[3-ethyl-2-(pyridin-4-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707238
1-[3-cyclopropyl-5-fluoro-2-(1H-pyrazol-5-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140723831
1-[5-cyclopropyl-1-methyl-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrrol-3-yl]-4-methyltetrazol-5-one
CID 140740147

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one (CID 140723888) is 1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one is CCc1cc(F)cc(-n2nnn(C)c2=O)c1COc1nccs1.
What is the InChIKey of 1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one?
The InChIKey is KRAJFWGYFSNIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2S/c1-3-9-6-10(15)7-12(20-14(21)19(2)17-18-20)11(9)8-22-13-16-4-5-23-13/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one?
1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one has a molecular weight of 335.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-fluoro-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one is sourced from PubChem (CID 140723888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).