(5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane

C16H27N3O2S — CID 97384838

IUPAC(5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOCCN1CC[C@]2(COCCN(Cc3csc(C)n3)C2)C1
InChIInChI=1S/C16H27N3O2S/c1-14-17-15(10-22-14)9-19-6-8-21-13-16(12-19)3-4-18(11-16)5-7-20-2/h10H,3-9,11-13H2,1-2H3/t16-/m0/s1
InChIKeyJVQNZNJFIHSETQ-INIZCTEOSA-N
MW325.48 g/mol
LogP1.62
Rot. Bonds5

About (5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97384838) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is (5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97384838
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name(5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCOCCN1CC[C@]2(COCCN(Cc3csc(C)n3)C2)C1
InChIInChI=1S/C16H27N3O2S/c1-14-17-15(10-22-14)9-19-6-8-21-13-16(12-19)3-4-18(11-16)5-7-20-2/h10H,3-9,11-13H2,1-2H3/t16-/m0/s1
InChIKeyJVQNZNJFIHSETQ-INIZCTEOSA-N
XLogP1.62
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5aS,8aS)-4-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420163
(5aS,8aS)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-(oxan-4-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97423109
9-[(2-Propyl-1,3-thiazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane
CID 86771402
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-10-(oxolan-3-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155826572
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155833019
10-Methylsulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane;2,2,2-trifluoroacetic acid
CID 155842759
2-(2-Methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155844500
10-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155849274
2-Methyl-4-[[2-(oxan-4-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
CID 97472537
(5aR,8aS)-4-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 125186441
N-(oxolan-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53520674
2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62255909

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97384838) is (5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane is COCCN1CC[C@]2(COCCN(Cc3csc(C)n3)C2)C1.
What is the InChIKey of (5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is JVQNZNJFIHSETQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-14-17-15(10-22-14)9-19-6-8-21-13-16(12-19)3-4-18(11-16)5-7-20-2/h10H,3-9,11-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 325.48 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-methoxyethyl)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97384838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).