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

C13H21N3OS — CID 78943207

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCC2CN3CCCC3CO2)s1
InChIInChI=1S/C13H21N3OS/c1-10-15-7-13(18-10)6-14-5-12-8-16-4-2-3-11(16)9-17-12/h7,11-12,14H,2-6,8-9H2,1H3
InChIKeySCLNAFZJCYFFHJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.40
Rot. Bonds4

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

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 78943207) has the molecular formula C13H21N3OS and a molecular weight of 267.40 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-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID78943207
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCC2CN3CCCC3CO2)s1
InChIInChI=1S/C13H21N3OS/c1-10-15-7-13(18-10)6-14-5-12-8-16-4-2-3-11(16)9-17-12/h7,11-12,14H,2-6,8-9H2,1H3
InChIKeySCLNAFZJCYFFHJ-UHFFFAOYSA-N
XLogP1.40
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.40
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-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine with MolForge

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783453
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
3-Methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-[(oxolan-2-yl)methyl]urea
CID 146083939
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 141207783
5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 141485080
(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
N-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 16494838
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46784196
1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 46785237
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 53523798
1-(4-Methylmorpholin-2-yl)-N-((2-methylthiazol-5-yl)methyl)methanamine
CID 53562874

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-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 78943207) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]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-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncc(CNCC2CN3CCCC3CO2)s1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is SCLNAFZJCYFFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-15-7-13(18-10)6-14-5-12-8-16-4-2-3-11(16)9-17-12/h7,11-12,14H,2-6,8-9H2,1H3.
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-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 267.40 g/mol, XLogP of 1.40, 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-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 78943207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).