5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane

C10H15NS2 — CID 66227054

IUPAC5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane
SMILESCc1ccc(C2NCC(C)CS2)s1
InChIInChI=1S/C10H15NS2/c1-7-5-11-10(12-6-7)9-4-3-8(2)13-9/h3-4,7,10-11H,5-6H2,1-2H3
InChIKeyOZZTVUBBPMXZQT-UHFFFAOYSA-N
MW213.37 g/mol
LogP3.03
Rot. Bonds1

About 5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane

5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane (PubChem CID 66227054) has the molecular formula C10H15NS2 and a molecular weight of 213.37 g/mol. Its IUPAC name is 5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane.

Molecular Properties

Compound Name5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane
PubChem CID66227054
Molecular FormulaC10H15NS2
Molecular Weight213.37 g/mol
Exact Mass213.06
IUPAC Name5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane
SMILESCc1ccc(C2NCC(C)CS2)s1
InChIInChI=1S/C10H15NS2/c1-7-5-11-10(12-6-7)9-4-3-8(2)13-9/h3-4,7,10-11H,5-6H2,1-2H3
InChIKeyOZZTVUBBPMXZQT-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane?
The IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane (CID 66227054) is 5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane.
What is the SMILES notation for 5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane?
The canonical SMILES for 5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane is Cc1ccc(C2NCC(C)CS2)s1.
What is the InChIKey of 5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane?
The InChIKey is OZZTVUBBPMXZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS2/c1-7-5-11-10(12-6-7)9-4-3-8(2)13-9/h3-4,7,10-11H,5-6H2,1-2H3.
What are the key properties of 5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane?
5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane has a molecular weight of 213.37 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane is sourced from PubChem (CID 66227054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).