4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide

C12H14N2O2S3 — CID 2738462

IUPAC4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C12H14N2O2S3/c15-19(16)6-3-14(4-7-19)8-10-9-18-12(13-10)11-2-1-5-17-11/h1-2,5,9H,3-4,6-8H2
InChIKeyLNWWYLKWCYEEHO-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.10
Rot. Bonds3

About 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 2738462) has the molecular formula C12H14N2O2S3 and a molecular weight of 314.46 g/mol. Its IUPAC name is 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID2738462
Molecular FormulaC12H14N2O2S3
Molecular Weight314.46 g/mol
Exact Mass314.02
IUPAC Name4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C12H14N2O2S3/c15-19(16)6-3-14(4-7-19)8-10-9-18-12(13-10)11-2-1-5-17-11/h1-2,5,9H,3-4,6-8H2
InChIKeyLNWWYLKWCYEEHO-UHFFFAOYSA-N
XLogP2.10
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 2738462) is 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2csc(-c3cccs3)n2)CC1.
What is the InChIKey of 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is LNWWYLKWCYEEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S3/c15-19(16)6-3-14(4-7-19)8-10-9-18-12(13-10)11-2-1-5-17-11/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 314.46 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 2738462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).