5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine

C7H12N4O2S2 — CID 102887535

IUPAC5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1CS(=O)(=O)CCN1c1nc(N)ns1
InChIInChI=1S/C7H12N4O2S2/c1-5-4-15(12,13)3-2-11(5)7-9-6(8)10-14-7/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyKLWVLBPPJNKMMN-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.26
Rot. Bonds1

About 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine

5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 102887535) has the molecular formula C7H12N4O2S2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
PubChem CID102887535
Molecular FormulaC7H12N4O2S2
Molecular Weight248.33 g/mol
Exact Mass248.04
IUPAC Name5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1CS(=O)(=O)CCN1c1nc(N)ns1
InChIInChI=1S/C7H12N4O2S2/c1-5-4-15(12,13)3-2-11(5)7-9-6(8)10-14-7/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyKLWVLBPPJNKMMN-UHFFFAOYSA-N
XLogP-0.26
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methylsulfonyl-5-thiomorpholino-1,2,4-thiadiazole
CID 69219894
5-N-(1,1-dioxothiolan-3-yl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 66277937
5-(1,1-Dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
CID 66278356
5-N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazole-3,5-diamine
CID 66278552
5-(3-Methylthiomorpholino)-1,2,4-thiadiazol-3-amine
CID 66278592
5-N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazole-3,5-diamine
CID 66278790
5-(1-Oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
CID 66279457
5-N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 66280547
5-(3-Ethylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
CID 66376042
5-(3-Methylsulfonylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
CID 66384638
5-N-methyl-5-N-(2-methylsulfonylethyl)-1,2,4-thiadiazole-3,5-diamine
CID 79864551
4-N-(1,1-dioxothiolan-3-yl)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80775094

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine (CID 102887535) is 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine is CC1CS(=O)(=O)CCN1c1nc(N)ns1.
What is the InChIKey of 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is KLWVLBPPJNKMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S2/c1-5-4-15(12,13)3-2-11(5)7-9-6(8)10-14-7/h5H,2-4H2,1H3,(H2,8,10).
What are the key properties of 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine?
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 248.33 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 102887535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).