(3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane

C13H20N2O2S — CID 97394988

IUPAC(3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nc(CO[C@@H]2COC3(CCNCC3)C2)cs1
InChIInChI=1S/C13H20N2O2S/c1-10-15-11(9-18-10)7-16-12-6-13(17-8-12)2-4-14-5-3-13/h9,12,14H,2-8H2,1H3/t12-/m0/s1
InChIKeyCWDHTSIDUSLRKO-LBPRGKRZSA-N
MW268.38 g/mol
LogP1.88
Rot. Bonds3

About (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane

(3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97394988) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID97394988
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nc(CO[C@@H]2COC3(CCNCC3)C2)cs1
InChIInChI=1S/C13H20N2O2S/c1-10-15-11(9-18-10)7-16-12-6-13(17-8-12)2-4-14-5-3-13/h9,12,14H,2-8H2,1H3/t12-/m0/s1
InChIKeyCWDHTSIDUSLRKO-LBPRGKRZSA-N
XLogP1.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(piperidin-4-yloxymethyl)-1,3-thiazole
CID 43167825
(3S,5S)-7-(1H-imidazol-5-ylmethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane
CID 97394350
(2S)-1-[(3S,5R)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-2-ol
CID 124809869
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930090
7-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane
CID 134071062
3-[(4-methoxyphenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930200
[(3R)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97418817
(3R,5S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155847228
(2-methyl-1,3-thiazol-4-yl)-[(8S)-8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124811768
8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 131661620
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane (CID 97394988) is (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane is Cc1nc(CO[C@@H]2COC3(CCNCC3)C2)cs1.
What is the InChIKey of (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is CWDHTSIDUSLRKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-15-11(9-18-10)7-16-12-6-13(17-8-12)2-4-14-5-3-13/h9,12,14H,2-8H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 268.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97394988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).