1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one

C10H8BrN5O3S — CID 140740054

IUPAC1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one
SMILES[3H]c1csc(OCc2c(Br)coc2-n2nnn(C)c2=O)n1
InChIInChI=1S/C10H8BrN5O3S/c1-15-10(17)16(14-13-15)8-6(7(11)5-18-8)4-19-9-12-2-3-20-9/h2-3,5H,4H2,1H3/i2T
InChIKeyCMWDWCACQTYJMP-FUPOQFPWSA-N
MW360.19 g/mol
LogP1.36
Rot. Bonds4

About 1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one

1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one (PubChem CID 140740054) has the molecular formula C10H8BrN5O3S and a molecular weight of 360.19 g/mol. Its IUPAC name is 1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one
PubChem CID140740054
Molecular FormulaC10H8BrN5O3S
Molecular Weight360.19 g/mol
Exact Mass358.96
IUPAC Name1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one
SMILES[3H]c1csc(OCc2c(Br)coc2-n2nnn(C)c2=O)n1
InChIInChI=1S/C10H8BrN5O3S/c1-15-10(17)16(14-13-15)8-6(7(11)5-18-8)4-19-9-12-2-3-20-9/h2-3,5H,4H2,1H3/i2T
InChIKeyCMWDWCACQTYJMP-FUPOQFPWSA-N
XLogP1.36
TPSA87.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[5-bromo-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-3-yl]-4-methyltetrazol-5-one
CID 140740234
1-[3-ethyl-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-oxazol-5-yl]-4-methyltetrazol-5-one
CID 140740717
1-methyl-4-[1-methyl-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrrol-3-yl]tetrazol-5-one
CID 140740750
1-[3-iodo-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-5-yl]-4-methyltetrazol-5-one
CID 140740120
1-[4-ethenyl-1-methyl-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrrol-2-yl]-4-methyltetrazol-5-one
CID 140740420
1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1H-pyrazol-4-yl]tetrazol-5-one
CID 140740830
1-[5-cyclopropyl-1-methyl-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrrol-3-yl]-4-methyltetrazol-5-one
CID 140740147
1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2,4-triazin-6-yl]tetrazol-5-one
CID 140740553
1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one
CID 140740827
1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]triazol-4-yl]tetrazol-5-one
CID 140740359
1-[1-cyclopropyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]triazol-4-yl]-4-methyltetrazol-5-one
CID 140740806
1-[4-bromo-3-[(2-methyl-4-tritiophenoxy)methyl]furan-2-yl]-4-methyltetrazol-5-one;1-[4-chloro-3-[(2-methyl-4-tritiophenoxy)methyl]furan-2-yl]-4-methyltetrazol-5-one;1-[4-fluoro-3-[(2-methyl-4-tritiophenoxy)methyl]furan-2-yl]-4-methyltetrazol-5-one;1-methyl-4-[3-[(2-methyl-4-tritiophenoxy)methyl]furan-2-yl]tetrazol-5-one
CID 162136411

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one (CID 140740054) is 1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one is [3H]c1csc(OCc2c(Br)coc2-n2nnn(C)c2=O)n1.
What is the InChIKey of 1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one?
The InChIKey is CMWDWCACQTYJMP-FUPOQFPWSA-N. The full InChI is InChI=1S/C10H8BrN5O3S/c1-15-10(17)16(14-13-15)8-6(7(11)5-18-8)4-19-9-12-2-3-20-9/h2-3,5H,4H2,1H3/i2T.
What are the key properties of 1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one?
1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one has a molecular weight of 360.19 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one is sourced from PubChem (CID 140740054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).