1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one

C13H17N7O2S — CID 140740406

IUPAC1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one
SMILES[3H]c1csc(OCc2c(-n3nnn(C)c3=O)ncn2C(C)(C)C)n1
InChIInChI=1S/C13H17N7O2S/c1-13(2,3)19-8-15-10(20-12(21)18(4)16-17-20)9(19)7-22-11-14-5-6-23-11/h5-6,8H,7H2,1-4H3/i5T
InChIKeyBQOMKBKSFWCBHT-XHHURNKPSA-N
MW337.40 g/mol
LogP0.95
Rot. Bonds4

About 1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one

1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one (PubChem CID 140740406) has the molecular formula C13H17N7O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one
PubChem CID140740406
Molecular FormulaC13H17N7O2S
Molecular Weight337.40 g/mol
Exact Mass337.12
IUPAC Name1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one
SMILES[3H]c1csc(OCc2c(-n3nnn(C)c3=O)ncn2C(C)(C)C)n1
InChIInChI=1S/C13H17N7O2S/c1-13(2,3)19-8-15-10(20-12(21)18(4)16-17-20)9(19)7-22-11-14-5-6-23-11/h5-6,8H,7H2,1-4H3/i5T
InChIKeyBQOMKBKSFWCBHT-XHHURNKPSA-N
XLogP0.95
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one?
The IUPAC name of 1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one (CID 140740406) is 1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one.
What is the SMILES notation for 1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one?
The canonical SMILES for 1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one is [3H]c1csc(OCc2c(-n3nnn(C)c3=O)ncn2C(C)(C)C)n1.
What is the InChIKey of 1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one?
The InChIKey is BQOMKBKSFWCBHT-XHHURNKPSA-N. The full InChI is InChI=1S/C13H17N7O2S/c1-13(2,3)19-8-15-10(20-12(21)18(4)16-17-20)9(19)7-22-11-14-5-6-23-11/h5-6,8H,7H2,1-4H3/i5T.
What are the key properties of 1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one?
1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one has a molecular weight of 337.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-tert-butyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]-4-methyltetrazol-5-one is sourced from PubChem (CID 140740406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).