1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one

C36H32N24O8S8 — CID 160738393

IUPAC1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one
SMILES[3H]c1csc(OCc2sccc2-n2nnn(C)c2=O)n1.[3H]c1csc(OCc2scnc2-n2nnn(C)c2=O)n1.[3H]c1csc(OCc2sncc2-n2nnn(C)c2=O)n1.[3H]c1csc(OCc2snnc2-n2nnn(C)c2=O)n1
InChIInChI=1S/C10H9N5O2S2.2C9H8N6O2S2.C8H7N7O2S2/c1-14-10(16)15(13-12-14)7-2-4-18-8(7)6-17-9-11-3-5-19-9;1-14-9(16)15(13-12-14)7-6(19-5-11-7)4-17-8-10-2-3-18-8;1-14-9(16)15(13-12-14)6-4-11-19-7(6)5-17-8-10-2-3-18-8;1-14-8(16)15(12-11-14)6-5(19-13-10-6)4-17-7-9-2-3-18-7/h2-5H,6H2,1H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3;2-3H,4H2,1H3/i3T;3*2T
InChIKeyRVGCMJZQIDFPMZ-RVXHSLFXSA-N
MW1193.38 g/mol
LogP1.83
Rot. Bonds16

About 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one

1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one (PubChem CID 160738393) has the molecular formula C36H32N24O8S8 and a molecular weight of 1193.38 g/mol. Its IUPAC name is 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one
PubChem CID160738393
Molecular FormulaC36H32N24O8S8
Molecular Weight1193.38 g/mol
Exact Mass1192.09
IUPAC Name1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one
SMILES[3H]c1csc(OCc2sccc2-n2nnn(C)c2=O)n1.[3H]c1csc(OCc2scnc2-n2nnn(C)c2=O)n1.[3H]c1csc(OCc2sncc2-n2nnn(C)c2=O)n1.[3H]c1csc(OCc2snnc2-n2nnn(C)c2=O)n1
InChIInChI=1S/C10H9N5O2S2.2C9H8N6O2S2.C8H7N7O2S2/c1-14-10(16)15(13-12-14)7-2-4-18-8(7)6-17-9-11-3-5-19-9;1-14-9(16)15(13-12-14)7-6(19-5-11-7)4-17-8-10-2-3-18-8;1-14-9(16)15(13-12-14)6-4-11-19-7(6)5-17-8-10-2-3-18-8;1-14-8(16)15(12-11-14)6-5(19-13-10-6)4-17-7-9-2-3-18-7/h2-5H,6H2,1H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3;2-3H,4H2,1H3/i3T;3*2T
InChIKeyRVGCMJZQIDFPMZ-RVXHSLFXSA-N
XLogP1.83
TPSA350.88 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds16
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one (CID 160738393) is 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one is [3H]c1csc(OCc2sccc2-n2nnn(C)c2=O)n1.[3H]c1csc(OCc2scnc2-n2nnn(C)c2=O)n1.[3H]c1csc(OCc2sncc2-n2nnn(C)c2=O)n1.[3H]c1csc(OCc2snnc2-n2nnn(C)c2=O)n1.
What is the InChIKey of 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one?
The InChIKey is RVGCMJZQIDFPMZ-RVXHSLFXSA-N. The full InChI is InChI=1S/C10H9N5O2S2.2C9H8N6O2S2.C8H7N7O2S2/c1-14-10(16)15(13-12-14)7-2-4-18-8(7)6-17-9-11-3-5-19-9;1-14-9(16)15(13-12-14)7-6(19-5-11-7)4-17-8-10-2-3-18-8;1-14-9(16)15(13-12-14)6-4-11-19-7(6)5-17-8-10-2-3-18-8;1-14-8(16)15(12-11-14)6-5(19-13-10-6)4-17-7-9-2-3-18-7/h2-5H,6H2,1H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3;2-3H,4H2,1H3/i3T;3*2T.
What are the key properties of 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one?
1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one has a molecular weight of 1193.38 g/mol, XLogP of 1.83, 16 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one is sourced from PubChem (CID 160738393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).