1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one

C10H8F3N7O2S — CID 140740052

IUPAC1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one
SMILES[3H]c1csc(OCc2c(-n3nnn(C)c3=O)ncn2C(F)(F)F)n1
InChIInChI=1S/C10H8F3N7O2S/c1-18-9(21)20(17-16-18)7-6(4-22-8-14-2-3-23-8)19(5-15-7)10(11,12)13/h2-3,5H,4H2,1H3/i2T
InChIKeyPLQAFHLZYWXYOS-FUPOQFPWSA-N
MW349.29 g/mol
LogP0.67
Rot. Bonds4

About 1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one

1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one (PubChem CID 140740052) has the molecular formula C10H8F3N7O2S and a molecular weight of 349.29 g/mol. Its IUPAC name is 1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one
PubChem CID140740052
Molecular FormulaC10H8F3N7O2S
Molecular Weight349.29 g/mol
Exact Mass349.05
IUPAC Name1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one
SMILES[3H]c1csc(OCc2c(-n3nnn(C)c3=O)ncn2C(F)(F)F)n1
InChIInChI=1S/C10H8F3N7O2S/c1-18-9(21)20(17-16-18)7-6(4-22-8-14-2-3-23-8)19(5-15-7)10(11,12)13/h2-3,5H,4H2,1H3/i2T
InChIKeyPLQAFHLZYWXYOS-FUPOQFPWSA-N
XLogP0.67
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one (CID 140740052) is 1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one is [3H]c1csc(OCc2c(-n3nnn(C)c3=O)ncn2C(F)(F)F)n1.
What is the InChIKey of 1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?
The InChIKey is PLQAFHLZYWXYOS-FUPOQFPWSA-N. The full InChI is InChI=1S/C10H8F3N7O2S/c1-18-9(21)20(17-16-18)7-6(4-22-8-14-2-3-23-8)19(5-15-7)10(11,12)13/h2-3,5H,4H2,1H3/i2T.
What are the key properties of 1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?
1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one has a molecular weight of 349.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one is sourced from PubChem (CID 140740052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).