ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one

C7H11N3OS — CID 90768587

IUPACethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one
SMILESCC.Cn1nc2sccn2c1=O
InChIInChI=1S/C5H5N3OS.C2H6/c1-7-5(9)8-2-3-10-4(8)6-7;1-2/h2-3H,1H3;1-2H3
InChIKeyUWFSIHPVAGUKFV-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.12
Rot. Bonds

About ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one

ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one (PubChem CID 90768587) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one.

Molecular Properties

Compound Nameethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one
PubChem CID90768587
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Nameethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one
SMILESCC.Cn1nc2sccn2c1=O
InChIInChI=1S/C5H5N3OS.C2H6/c1-7-5(9)8-2-3-10-4(8)6-7;1-2/h2-3H,1H3;1-2H3
InChIKeyUWFSIHPVAGUKFV-UHFFFAOYSA-N
XLogP1.12
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 89382071
6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753571
1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone
CID 13016960
6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
CID 142258463
2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
CID 2328534
7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 3335218
methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 648108
7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127002284
1-methyl-6-oxo-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyridazine-3-carboxamide
CID 31009982
1,3,5-trimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrazol-4-amine
CID 43768823
6-methyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 14100430
7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 14319826

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one?
The IUPAC name of ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one (CID 90768587) is ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one.
What is the SMILES notation for ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one?
The canonical SMILES for ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one is CC.Cn1nc2sccn2c1=O.
What is the InChIKey of ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one?
The InChIKey is UWFSIHPVAGUKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3OS.C2H6/c1-7-5(9)8-2-3-10-4(8)6-7;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one?
ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one has a molecular weight of 185.25 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one is sourced from PubChem (CID 90768587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).