1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C12H19N3OS — CID 78943155

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCC2CN3CCCC3CO2)n1
InChIInChI=1S/C12H19N3OS/c1-2-10-9-16-11(8-15(10)4-1)6-13-7-12-14-3-5-17-12/h3,5,10-11,13H,1-2,4,6-9H2
InChIKeyDZYSURIDMSKIDR-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.10
Rot. Bonds4

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 78943155) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID78943155
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCC2CN3CCCC3CO2)n1
InChIInChI=1S/C12H19N3OS/c1-2-10-9-16-11(8-15(10)4-1)6-13-7-12-14-3-5-17-12/h3,5,10-11,13H,1-2,4,6-9H2
InChIKeyDZYSURIDMSKIDR-UHFFFAOYSA-N
XLogP1.10
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 78943155) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1csc(CNCC2CN3CCCC3CO2)n1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is DZYSURIDMSKIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-10-9-16-11(8-15(10)4-1)6-13-7-12-14-3-5-17-12/h3,5,10-11,13H,1-2,4,6-9H2.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 253.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 78943155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).