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

C11H14N2O2S — CID 94993786

IUPAC[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCO[C@H]2CCC[C@H]21
InChIInChI=1S/C11H14N2O2S/c14-11(8-6-16-7-12-8)13-4-5-15-10-3-1-2-9(10)13/h6-7,9-10H,1-5H2/t9-,10+/m1/s1
InChIKeyHCBQAMNQNWSDAA-ZJUUUORDSA-N
MW238.31 g/mol
LogP1.54
Rot. Bonds1

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

[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 94993786) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID94993786
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCO[C@H]2CCC[C@H]21
InChIInChI=1S/C11H14N2O2S/c14-11(8-6-16-7-12-8)13-4-5-15-10-3-1-2-9(10)13/h6-7,9-10H,1-5H2/t9-,10+/m1/s1
InChIKeyHCBQAMNQNWSDAA-ZJUUUORDSA-N
XLogP1.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(3R,3aS,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide
CID 98777442
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 103932997
N-[(3S,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1,3-thiazole-4-carboxamide
CID 127021161
N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 97051833
[2-(Difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 121565148
[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 164640630
N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 75425519
N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 97051832
[(2S)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 124626988
[(2R)-2-(difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 124626989
[(7R,8aR)-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,3-thiazol-4-yl)methanone
CID 125212583
[(7R,8aR)-7-[2-(dimethylamino)ethoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,3-thiazol-4-yl)methanone
CID 125214015

Frequently Asked Questions

What is the IUPAC name of [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone (CID 94993786) is [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCO[C@H]2CCC[C@H]21.
What is the InChIKey of [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is HCBQAMNQNWSDAA-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-11(8-6-16-7-12-8)13-4-5-15-10-3-1-2-9(10)13/h6-7,9-10H,1-5H2/t9-,10+/m1/s1.
What are the key properties of [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone?
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 238.31 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 94993786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).