2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone

C15H23N3O3S — CID 97472244

IUPAC2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone
SMILESCOCC(=O)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H23N3O3S/c1-20-9-14(19)18-5-6-21-12-15(11-18)2-4-17(10-15)8-13-16-3-7-22-13/h3,7H,2,4-6,8-12H2,1H3/t15-/m0/s1
InChIKeyXCSRKHFSPGRXMZ-HNNXBMFYSA-N
MW325.43 g/mol
LogP0.84
Rot. Bonds4

About 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone

2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone (PubChem CID 97472244) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone
PubChem CID97472244
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone
SMILESCOCC(=O)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H23N3O3S/c1-20-9-14(19)18-5-6-21-12-15(11-18)2-4-17(10-15)8-13-16-3-7-22-13/h3,7H,2,4-6,8-12H2,1H3/t15-/m0/s1
InChIKeyXCSRKHFSPGRXMZ-HNNXBMFYSA-N
XLogP0.84
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233752
10-Acetyl-2-methyl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118742457
10-(Cyclopropylmethyl)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118745767
2-(Oxan-4-yl)-10-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746964
2-Methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155846161
1-[(5aS,8aS)-7-(1,3-thiazol-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]ethanone
CID 125233695
N,N-dimethyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131639761
N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131647806
2-Methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone
CID 131648509
10-Methylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131654684
Oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 23856455
(5S)-10-acetyl-2-methyl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360069

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone (CID 97472244) is 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone is COCC(=O)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone?
The InChIKey is XCSRKHFSPGRXMZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-20-9-14(19)18-5-6-21-12-15(11-18)2-4-17(10-15)8-13-16-3-7-22-13/h3,7H,2,4-6,8-12H2,1H3/t15-/m0/s1.
What are the key properties of 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone?
2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone has a molecular weight of 325.43 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]ethanone is sourced from PubChem (CID 97472244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).