6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane

C8H13N3S2 — CID 130979698

IUPAC6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane
SMILESCc1nnsc1C1NCCC(C)S1
InChIInChI=1S/C8H13N3S2/c1-5-3-4-9-8(12-5)7-6(2)10-11-13-7/h5,8-9H,3-4H2,1-2H3
InChIKeyABYWHWGCWZUKEV-UHFFFAOYSA-N
MW215.35 g/mol
LogP1.96
Rot. Bonds1

About 6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane

6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane (PubChem CID 130979698) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is 6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane.

Molecular Properties

Compound Name6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane
PubChem CID130979698
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC Name6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane
SMILESCc1nnsc1C1NCCC(C)S1
InChIInChI=1S/C8H13N3S2/c1-5-3-4-9-8(12-5)7-6(2)10-11-13-7/h5,8-9H,3-4H2,1-2H3
InChIKeyABYWHWGCWZUKEV-UHFFFAOYSA-N
XLogP1.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane?
The IUPAC name of 6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane (CID 130979698) is 6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane.
What is the SMILES notation for 6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane?
The canonical SMILES for 6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane is Cc1nnsc1C1NCCC(C)S1.
What is the InChIKey of 6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane?
The InChIKey is ABYWHWGCWZUKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-5-3-4-9-8(12-5)7-6(2)10-11-13-7/h5,8-9H,3-4H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane?
6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane has a molecular weight of 215.35 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylthiadiazol-5-yl)-1,3-thiazinane is sourced from PubChem (CID 130979698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).