[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone

C15H23N3O3S — CID 133113462

IUPAC[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1nc(C)c(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OC)s1
InChIInChI=1S/C15H23N3O3S/c1-9-12(22-14(16-2)17-9)13(20)18-6-4-15(5-7-18)10(19)8-11(15)21-3/h10-11,19H,4-8H2,1-3H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyPJKNHMJUSAMEPN-WDEREUQCSA-N
MW325.43 g/mol
LogP1.50
Rot. Bonds3

About [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone

[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 133113462) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
PubChem CID133113462
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1nc(C)c(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OC)s1
InChIInChI=1S/C15H23N3O3S/c1-9-12(22-14(16-2)17-9)13(20)18-6-4-15(5-7-18)10(19)8-11(15)21-3/h10-11,19H,4-8H2,1-3H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyPJKNHMJUSAMEPN-WDEREUQCSA-N
XLogP1.50
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
(5-ethyl-1H-pyrrol-2-yl)-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 133131614
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 97100810
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 97100812
[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone
CID 133117281
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72844234
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97150010
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72870237
4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 70772394
[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 95556437
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97216105
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
CID 70770639

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone (CID 133113462) is [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone is CNc1nc(C)c(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OC)s1.
What is the InChIKey of [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is PJKNHMJUSAMEPN-WDEREUQCSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-9-12(22-14(16-2)17-9)13(20)18-6-4-15(5-7-18)10(19)8-11(15)21-3/h10-11,19H,4-8H2,1-3H3,(H,16,17)/t10-,11+/m0/s1.
What are the key properties of [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone?
[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 325.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 133113462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).