(3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C16H27N5OS — CID 95862437

IUPAC(3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)C[C@@H]1C(=O)NCCCc1csc(N)n1
InChIInChI=1S/C16H27N5OS/c1-21-11-16(4-7-18-8-5-16)9-13(21)14(22)19-6-2-3-12-10-23-15(17)20-12/h10,13,18H,2-9,11H2,1H3,(H2,17,20)(H,19,22)/t13-/m1/s1
InChIKeyACISODIMLKRAJK-CYBMUJFWSA-N
MW337.49 g/mol
LogP0.85
Rot. Bonds5

About (3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95862437) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is (3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95862437
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC Name(3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)C[C@@H]1C(=O)NCCCc1csc(N)n1
InChIInChI=1S/C16H27N5OS/c1-21-11-16(4-7-18-8-5-16)9-13(21)14(22)19-6-2-3-12-10-23-15(17)20-12/h10,13,18H,2-9,11H2,1H3,(H2,17,20)(H,19,22)/t13-/m1/s1
InChIKeyACISODIMLKRAJK-CYBMUJFWSA-N
XLogP0.85
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide 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

(3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95876902
N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56892746
(3R)-2-methyl-N-(2-naphthalen-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95863233
N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902263
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882354
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-chloro-1-methylpyrazole-3-carboxamide
CID 131889869
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide
CID 91765036
(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95888750
(1R,3R,4S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide
CID 135091405
(3R,5S)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72935972
(3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95894798
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide
CID 126432610

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95862437) is (3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CN1CC2(CCNCC2)C[C@@H]1C(=O)NCCCc1csc(N)n1.
What is the InChIKey of (3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is ACISODIMLKRAJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-21-11-16(4-7-18-8-5-16)9-13(21)14(22)19-6-2-3-12-10-23-15(17)20-12/h10,13,18H,2-9,11H2,1H3,(H2,17,20)(H,19,22)/t13-/m1/s1.
What are the key properties of (3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95862437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).