4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide

C16H16N4O2S — CID 166235026

IUPAC4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2n[nH]c(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C16H16N4O2S/c21-23(22)9-7-20(8-10-23)16-17-15(18-19-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2,(H,17,18,19)
InChIKeyKAUAUWYQNQIRSG-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.86
Rot. Bonds2

About 4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide

4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 166235026) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID166235026
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2n[nH]c(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C16H16N4O2S/c21-23(22)9-7-20(8-10-23)16-17-15(18-19-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2,(H,17,18,19)
InChIKeyKAUAUWYQNQIRSG-UHFFFAOYSA-N
XLogP1.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide (CID 166235026) is 4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2n[nH]c(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of 4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is KAUAUWYQNQIRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-23(22)9-7-20(8-10-23)16-17-15(18-19-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2,(H,17,18,19).
What are the key properties of 4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide?
4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 328.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-naphthalen-2-yl-1H-1,2,4-triazol-3-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 166235026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).