N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C14H21N3OS — CID 79088334

IUPACN-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESc1nc(C2CN3CCCC3CO2)sc1CNC1CC1
InChIInChI=1S/C14H21N3OS/c1-2-11-9-18-13(8-17(11)5-1)14-16-7-12(19-14)6-15-10-3-4-10/h7,10-11,13,15H,1-6,8-9H2
InChIKeyWSFDZKUDCYZUAZ-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.93
Rot. Bonds4

About N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 79088334) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID79088334
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESc1nc(C2CN3CCCC3CO2)sc1CNC1CC1
InChIInChI=1S/C14H21N3OS/c1-2-11-9-18-13(8-17(11)5-1)14-16-7-12(19-14)6-15-10-3-4-10/h7,10-11,13,15H,1-6,8-9H2
InChIKeyWSFDZKUDCYZUAZ-UHFFFAOYSA-N
XLogP1.93
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783454
(Oxolan-2-ylmethyl)(1,3-thiazol-5-ylmethyl)amine
CID 16494772
N-[(2-methoxy-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 16494802
1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 46785237
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 60776611
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60777490
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60982044
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 60983006
N-[[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61282711
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine
CID 61609437
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 61687022
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 61687072

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 79088334) is N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is c1nc(C2CN3CCCC3CO2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is WSFDZKUDCYZUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-11-9-18-13(8-17(11)5-1)14-16-7-12(19-14)6-15-10-3-4-10/h7,10-11,13,15H,1-6,8-9H2.
What are the key properties of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 279.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79088334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).