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

C52H52N20O8S4 — CID 161271076

IUPAC1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one
SMILES[3H]c1ccc(OCc2sccc2-n2nnn(C)c2=O)c(C)c1.[3H]c1ccc(OCc2scnc2-n2nnn(C)c2=O)c(C)c1.[3H]c1ccc(OCc2sncc2-n2nnn(C)c2=O)c(C)c1.[3H]c1ccc(OCc2snnc2-n2nnn(C)c2=O)c(C)c1
InChIInChI=1S/C14H14N4O2S.2C13H13N5O2S.C12H12N6O2S/c1-10-5-3-4-6-12(10)20-9-13-11(7-8-21-13)18-14(19)17(2)15-16-18;1-9-5-3-4-6-11(9)20-8-12-10(7-14-21-12)18-13(19)17(2)15-16-18;1-9-5-3-4-6-10(9)20-7-11-12(14-8-21-11)18-13(19)17(2)15-16-18;1-8-5-3-4-6-9(8)20-7-10-11(13-16-21-10)18-12(19)17(2)14-15-18/h3-8H,9H2,1-2H3;3-7H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-6H,7H2,1-2H3/i4*3T
InChIKeyVDVAIBZJCGQGNL-BLEJXAALSA-N
MW1221.42 g/mol
LogP5.24
Rot. Bonds16

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

1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one (PubChem CID 161271076) has the molecular formula C52H52N20O8S4 and a molecular weight of 1221.42 g/mol. Its IUPAC name is 1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one
PubChem CID161271076
Molecular FormulaC52H52N20O8S4
Molecular Weight1221.42 g/mol
Exact Mass1220.35
IUPAC Name1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one
SMILES[3H]c1ccc(OCc2sccc2-n2nnn(C)c2=O)c(C)c1.[3H]c1ccc(OCc2scnc2-n2nnn(C)c2=O)c(C)c1.[3H]c1ccc(OCc2sncc2-n2nnn(C)c2=O)c(C)c1.[3H]c1ccc(OCc2snnc2-n2nnn(C)c2=O)c(C)c1
InChIInChI=1S/C14H14N4O2S.2C13H13N5O2S.C12H12N6O2S/c1-10-5-3-4-6-12(10)20-9-13-11(7-8-21-13)18-14(19)17(2)15-16-18;1-9-5-3-4-6-11(9)20-8-12-10(7-14-21-12)18-13(19)17(2)15-16-18;1-9-5-3-4-6-10(9)20-7-11-12(14-8-21-11)18-13(19)17(2)15-16-18;1-8-5-3-4-6-9(8)20-7-10-11(13-16-21-10)18-12(19)17(2)14-15-18/h3-8H,9H2,1-2H3;3-7H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-6H,7H2,1-2H3/i4*3T
InChIKeyVDVAIBZJCGQGNL-BLEJXAALSA-N
XLogP5.24
TPSA299.32 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001221.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1H-pyrazol-4-yl]tetrazol-5-one
CID 140740286
1-methyl-4-[3-[(2-methyl-4-tritiophenoxy)methyl]-4-pyridinyl]tetrazol-5-one
CID 140740244
1-[5-ethynyl-4-[(2-methyl-4-tritiophenoxy)methyl]pyridazin-3-yl]-4-methyltetrazol-5-one
CID 140740837
1-[2-chloro-3-[(2-methyl-4-tritiophenoxy)methyl]-4-pyridinyl]-4-methyltetrazol-5-one
CID 140740296
1-methyl-4-[1-methyl-3-[(2-methyl-4-tritiophenoxy)methyl]pyrazol-4-yl]tetrazol-5-one
CID 140740632
1-[1-tert-butyl-5-[(2-methyl-4-tritiophenoxy)methyl]pyrazol-4-yl]-4-methyltetrazol-5-one
CID 140740332
1-[4-ethyl-3-[(2-methyl-4-tritiophenoxy)methyl]thiophen-2-yl]-4-methyltetrazol-5-one
CID 140740561
1-[5-fluoro-4-[(2-methyl-4-tritiophenoxy)methyl]-3-pyridinyl]-4-methyltetrazol-5-one
CID 140740116
1-[2-ethynyl-3-[(2-methyl-4-tritiophenoxy)methyl]-4-pyridinyl]-4-methyltetrazol-5-one
CID 140740131
1-[1-cyclopropyl-5-[(2-methyl-4-tritiophenoxy)methyl]imidazol-4-yl]-4-methyltetrazol-5-one
CID 140740317
1-[4-fluoro-3-[(2-methyl-4-tritiophenoxy)methyl]thiophen-2-yl]-4-methyltetrazol-5-one
CID 140740780

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one (CID 161271076) is 1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one is [3H]c1ccc(OCc2sccc2-n2nnn(C)c2=O)c(C)c1.[3H]c1ccc(OCc2scnc2-n2nnn(C)c2=O)c(C)c1.[3H]c1ccc(OCc2sncc2-n2nnn(C)c2=O)c(C)c1.[3H]c1ccc(OCc2snnc2-n2nnn(C)c2=O)c(C)c1.
What is the InChIKey of 1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one?
The InChIKey is VDVAIBZJCGQGNL-BLEJXAALSA-N. The full InChI is InChI=1S/C14H14N4O2S.2C13H13N5O2S.C12H12N6O2S/c1-10-5-3-4-6-12(10)20-9-13-11(7-8-21-13)18-14(19)17(2)15-16-18;1-9-5-3-4-6-11(9)20-8-12-10(7-14-21-12)18-13(19)17(2)15-16-18;1-9-5-3-4-6-10(9)20-7-11-12(14-8-21-11)18-13(19)17(2)15-16-18;1-8-5-3-4-6-9(8)20-7-10-11(13-16-21-10)18-12(19)17(2)14-15-18/h3-8H,9H2,1-2H3;3-7H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-6H,7H2,1-2H3/i4*3T.
What are the key properties of 1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one?
1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one has a molecular weight of 1221.42 g/mol, XLogP of 5.24, 16 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(2-methyl-4-tritiophenoxy)methyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(2-methyl-4-tritiophenoxy)methyl]thiophen-3-yl]tetrazol-5-one is sourced from PubChem (CID 161271076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).