1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine

C7H12N2S — CID 140560011

IUPAC1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESNC1NC2=CCCC2CS1
InChIInChI=1S/C7H12N2S/c8-7-9-6-3-1-2-5(6)4-10-7/h3,5,7,9H,1-2,4,8H2
InChIKeyFZJIQJUILGIZPP-UHFFFAOYSA-N
MW156.25 g/mol
LogP0.86
Rot. Bonds

About 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine

1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 140560011) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID140560011
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESNC1NC2=CCCC2CS1
InChIInChI=1S/C7H12N2S/c8-7-9-6-3-1-2-5(6)4-10-7/h3,5,7,9H,1-2,4,8H2
InChIKeyFZJIQJUILGIZPP-UHFFFAOYSA-N
XLogP0.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 140560011) is 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine is NC1NC2=CCCC2CS1.
What is the InChIKey of 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is FZJIQJUILGIZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c8-7-9-6-3-1-2-5(6)4-10-7/h3,5,7,9H,1-2,4,8H2.
What are the key properties of 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 156.25 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,4a,5,6-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 140560011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).