[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine

C12H19N3OS — CID 62434988

IUPAC[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCOC3CCCC32)cs1
InChIInChI=1S/C12H19N3OS/c13-6-12-14-9(8-17-12)7-15-4-5-16-11-3-1-2-10(11)15/h8,10-11H,1-7,13H2
InChIKeyFEAPGLHQLFABPO-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.36
Rot. Bonds3

About [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine

[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 62434988) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID62434988
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(CN2CCOC3CCCC32)cs1
InChIInChI=1S/C12H19N3OS/c13-6-12-14-9(8-17-12)7-15-4-5-16-11-3-1-2-10(11)15/h8,10-11H,1-7,13H2
InChIKeyFEAPGLHQLFABPO-UHFFFAOYSA-N
XLogP1.36
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine with MolForge

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Related Compounds

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119742326
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-amine
CID 79772048
[4-[(3-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62433286
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,2-dimethylpropan-1-amine
CID 62259048
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2,6-dichloroaniline
CID 82833402
N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106906203
1-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106906421
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine
CID 62181955
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407
[(4aS,6R,7aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol
CID 172896298
[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-fluorophenyl]methanamine
CID 107113319

Frequently Asked Questions

What is the IUPAC name of [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine (CID 62434988) is [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(CN2CCOC3CCCC32)cs1.
What is the InChIKey of [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is FEAPGLHQLFABPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-6-12-14-9(8-17-12)7-15-4-5-16-11-3-1-2-10(11)15/h8,10-11H,1-7,13H2.
What are the key properties of [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine?
[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 253.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62434988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).