(5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O3S — CID 97189914

IUPAC(5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nc(N)sc1C(=O)N1CC[C@@]2(CCCN(CCCOC)C2=O)C1
InChIInChI=1S/C18H28N4O3S/c1-3-13-14(26-17(19)20-13)15(23)22-10-7-18(12-22)6-4-8-21(16(18)24)9-5-11-25-2/h3-12H2,1-2H3,(H2,19,20)/t18-/m0/s1
InChIKeyWELZOZZECXDMNB-SFHVURJKSA-N
MW380.51 g/mol
LogP1.78
Rot. Bonds6

About (5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97189914) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is (5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97189914
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name(5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nc(N)sc1C(=O)N1CC[C@@]2(CCCN(CCCOC)C2=O)C1
InChIInChI=1S/C18H28N4O3S/c1-3-13-14(26-17(19)20-13)15(23)22-10-7-18(12-22)6-4-8-21(16(18)24)9-5-11-25-2/h3-12H2,1-2H3,(H2,19,20)/t18-/m0/s1
InChIKeyWELZOZZECXDMNB-SFHVURJKSA-N
XLogP1.78
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-4-methylpyrimidine-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119070658
(5R)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97204777
(5R)-2-(3-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42119648
7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645008
(5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97119877
(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
CID 56760017
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
N-cyclohexyl-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45221572
(5R)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127055
7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
(5S)-7-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97205006
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97189914) is (5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1nc(N)sc1C(=O)N1CC[C@@]2(CCCN(CCCOC)C2=O)C1.
What is the InChIKey of (5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WELZOZZECXDMNB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-3-13-14(26-17(19)20-13)15(23)22-10-7-18(12-22)6-4-8-21(16(18)24)9-5-11-25-2/h3-12H2,1-2H3,(H2,19,20)/t18-/m0/s1.
What are the key properties of (5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 380.51 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97189914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).