2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide

C13H19N3O3S — CID 133136164

IUPAC2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide
SMILESCO[C@@H]1C[C@H](O)C12CCN(c1nc(C(N)=O)cs1)CC2
InChIInChI=1S/C13H19N3O3S/c1-19-10-6-9(17)13(10)2-4-16(5-3-13)12-15-8(7-20-12)11(14)18/h7,9-10,17H,2-6H2,1H3,(H2,14,18)/t9-,10+/m0/s1
InChIKeyGTYQXPWEGMJJRU-VHSXEESVSA-N
MW297.38 g/mol
LogP0.61
Rot. Bonds3

About 2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide

2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide (PubChem CID 133136164) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide
PubChem CID133136164
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide
SMILESCO[C@@H]1C[C@H](O)C12CCN(c1nc(C(N)=O)cs1)CC2
InChIInChI=1S/C13H19N3O3S/c1-19-10-6-9(17)13(10)2-4-16(5-3-13)12-15-8(7-20-12)11(14)18/h7,9-10,17H,2-6H2,1H3,(H2,14,18)/t9-,10+/m0/s1
InChIKeyGTYQXPWEGMJJRU-VHSXEESVSA-N
XLogP0.61
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 22242781
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid
CID 70744567
2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 133130632
S-[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] ethanethioate
CID 22242732
2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide
CID 56899725
methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate
CID 115424343
[1-(4-carbamoyl-1,3-thiazol-2-yl)pyrrolidin-3-yl] methanesulfonate
CID 22242894
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97216105
2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 70741919
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72870237
(1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 72840438

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide (CID 133136164) is 2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide is CO[C@@H]1C[C@H](O)C12CCN(c1nc(C(N)=O)cs1)CC2.
What is the InChIKey of 2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GTYQXPWEGMJJRU-VHSXEESVSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-19-10-6-9(17)13(10)2-4-16(5-3-13)12-15-8(7-20-12)11(14)18/h7,9-10,17H,2-6H2,1H3,(H2,14,18)/t9-,10+/m0/s1.
What are the key properties of 2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide?
2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 133136164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).