2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide

C11H19N3OS2 — CID 133479395

IUPAC2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2nnc(C)s2)CCS1=O
InChIInChI=1S/C11H19N3OS2/c1-4-11(5-2)8-14(6-7-17(11)15)10-13-12-9(3)16-10/h4-8H2,1-3H3
InChIKeyHTOGHZXTNJQVDN-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.97
Rot. Bonds3

About 2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide

2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide (PubChem CID 133479395) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide
PubChem CID133479395
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2nnc(C)s2)CCS1=O
InChIInChI=1S/C11H19N3OS2/c1-4-11(5-2)8-14(6-7-17(11)15)10-13-12-9(3)16-10/h4-8H2,1-3H3
InChIKeyHTOGHZXTNJQVDN-UHFFFAOYSA-N
XLogP1.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1-oxide
CID 133479366
2,2-diethyl-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinane 1-oxide
CID 133479707
4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479608
2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 82993713
2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole
CID 133332877
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 65209141
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983073
4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 58663759
2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride
CID 169312225
4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazepane
CID 130619166
2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 133479437
butyl 4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxylate
CID 108729541

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide (CID 133479395) is 2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide is CCC1(CC)CN(c2nnc(C)s2)CCS1=O.
What is the InChIKey of 2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide?
The InChIKey is HTOGHZXTNJQVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-4-11(5-2)8-14(6-7-17(11)15)10-13-12-9(3)16-10/h4-8H2,1-3H3.
What are the key properties of 2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide?
2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide has a molecular weight of 273.43 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 133479395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).