(5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

C16H24N4O3S — CID 97119877

IUPAC(5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCNc1nc(C(=O)N2CC[C@]3(CCCN(CCOC)C3=O)C2)cs1
InChIInChI=1S/C16H24N4O3S/c1-17-15-18-12(10-24-15)13(21)20-7-5-16(11-20)4-3-6-19(14(16)22)8-9-23-2/h10H,3-9,11H2,1-2H3,(H,17,18)/t16-/m1/s1
InChIKeyRJSBOYWFDRYAEJ-MRXNPFEDSA-N
MW352.46 g/mol
LogP1.29
Rot. Bonds5

About (5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97119877) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is (5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97119877
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name(5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCNc1nc(C(=O)N2CC[C@]3(CCCN(CCOC)C3=O)C2)cs1
InChIInChI=1S/C16H24N4O3S/c1-17-15-18-12(10-24-15)13(21)20-7-5-16(11-20)4-3-6-19(14(16)22)8-9-23-2/h10H,3-9,11H2,1-2H3,(H,17,18)/t16-/m1/s1
InChIKeyRJSBOYWFDRYAEJ-MRXNPFEDSA-N
XLogP1.29
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-2-(3-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42119648
[3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72873894
7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
2-(2-amino-4-methylpyrimidine-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119070658
(5R)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127055
2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638498
(5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489862
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
(5S)-7-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97205006
7-(2-methoxyethyl)-2-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226456
2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131681877
(5S)-2-(3-cyclopropyl-1,2-oxazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126698

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97119877) is (5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one is CNc1nc(C(=O)N2CC[C@]3(CCCN(CCOC)C3=O)C2)cs1.
What is the InChIKey of (5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RJSBOYWFDRYAEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-17-15-18-12(10-24-15)13(21)20-7-5-16(11-20)4-3-6-19(14(16)22)8-9-23-2/h10H,3-9,11H2,1-2H3,(H,17,18)/t16-/m1/s1.
What are the key properties of (5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 352.46 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97119877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).