6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

C11H16N4OS — CID 90331575

IUPAC6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
SMILESCn1cc(C2CC3CSC(N)=NC3CO2)cn1
InChIInChI=1S/C11H16N4OS/c1-15-4-8(3-13-15)10-2-7-6-17-11(12)14-9(7)5-16-10/h3-4,7,9-10H,2,5-6H2,1H3,(H2,12,14)
InChIKeyKJSMEQWJMLLAAP-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.93
Rot. Bonds1

About 6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine (PubChem CID 90331575) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
PubChem CID90331575
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
SMILESCn1cc(C2CC3CSC(N)=NC3CO2)cn1
InChIInChI=1S/C11H16N4OS/c1-15-4-8(3-13-15)10-2-7-6-17-11(12)14-9(7)5-16-10/h3-4,7,9-10H,2,5-6H2,1H3,(H2,12,14)
InChIKeyKJSMEQWJMLLAAP-UHFFFAOYSA-N
XLogP0.93
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine (CID 90331575) is 6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine is Cn1cc(C2CC3CSC(N)=NC3CO2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine?
The InChIKey is KJSMEQWJMLLAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-15-4-8(3-13-15)10-2-7-6-17-11(12)14-9(7)5-16-10/h3-4,7,9-10H,2,5-6H2,1H3,(H2,12,14).
What are the key properties of 6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine?
6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine has a molecular weight of 252.34 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 90331575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).