(4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H24N4O4S — CID 124751533

IUPAC(4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)C2(CCN(Cc3cnc(N4CCOCC4)s3)CC2)N1
InChIInChI=1S/C17H24N4O4S/c22-14-9-13(15(23)24)17(19-14)1-3-20(4-2-17)11-12-10-18-16(26-12)21-5-7-25-8-6-21/h10,13H,1-9,11H2,(H,19,22)(H,23,24)/t13-/m1/s1
InChIKeyGVKQFCMCYLXLCT-CYBMUJFWSA-N
MW380.47 g/mol
LogP0.54
Rot. Bonds4

About (4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 124751533) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is (4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID124751533
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name(4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)C2(CCN(Cc3cnc(N4CCOCC4)s3)CC2)N1
InChIInChI=1S/C17H24N4O4S/c22-14-9-13(15(23)24)17(19-14)1-3-20(4-2-17)11-12-10-18-16(26-12)21-5-7-25-8-6-21/h10,13H,1-9,11H2,(H,19,22)(H,23,24)/t13-/m1/s1
InChIKeyGVKQFCMCYLXLCT-CYBMUJFWSA-N
XLogP0.54
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
CID 82374896
(2R,4R)-9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154564842
(4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165422199
[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268867
[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45231856
(4S)-8-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97210863
(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 155496457
(4R)-8-[(3-methyl-1-benzofuran-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124854223
1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 42454719
9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 72940573
(4R)-8-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97202571
4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 77087056

Frequently Asked Questions

What is the IUPAC name of (4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 124751533) is (4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is O=C1C[C@H](C(=O)O)C2(CCN(Cc3cnc(N4CCOCC4)s3)CC2)N1.
What is the InChIKey of (4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is GVKQFCMCYLXLCT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4O4S/c22-14-9-13(15(23)24)17(19-14)1-3-20(4-2-17)11-12-10-18-16(26-12)21-5-7-25-8-6-21/h10,13H,1-9,11H2,(H,19,22)(H,23,24)/t13-/m1/s1.
What are the key properties of (4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 380.47 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 124751533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).