(5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol

C20H27N3OS — CID 110159406

IUPAC(5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol
SMILESCc1ncsc1CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1
InChIInChI=1S/C20H27N3OS/c1-16-18(25-15-21-16)13-22-11-9-20(19(24)14-22)8-5-10-23(20)12-17-6-3-2-4-7-17/h2-4,6-7,15,19,24H,5,8-14H2,1H3/t19-,20-/m0/s1
InChIKeyBCBFLPGTNBPUMQ-PMACEKPBSA-N
MW357.52 g/mol
LogP3.05
Rot. Bonds4

About (5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol

(5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol (PubChem CID 110159406) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is (5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol
PubChem CID110159406
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name(5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol
SMILESCc1ncsc1CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1
InChIInChI=1S/C20H27N3OS/c1-16-18(25-15-21-16)13-22-11-9-20(19(24)14-22)8-5-10-23(20)12-17-6-3-2-4-7-17/h2-4,6-7,15,19,24H,5,8-14H2,1H3/t19-,20-/m0/s1
InChIKeyBCBFLPGTNBPUMQ-PMACEKPBSA-N
XLogP3.05
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol 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

5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 70766458
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 129457422
1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 95714959
(3R,4S)-3-benzyl-4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 164694563
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide
CID 110162127
[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 110155983
4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97113099
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110162141
(6S,11S)-8-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol
CID 164689977
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 110166578
4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 110162145

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol (CID 110159406) is (5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol is Cc1ncsc1CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1.
What is the InChIKey of (5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol?
The InChIKey is BCBFLPGTNBPUMQ-PMACEKPBSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-16-18(25-15-21-16)13-22-11-9-20(19(24)14-22)8-5-10-23(20)12-17-6-3-2-4-7-17/h2-4,6-7,15,19,24H,5,8-14H2,1H3/t19-,20-/m0/s1.
What are the key properties of (5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol?
(5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol has a molecular weight of 357.52 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol is sourced from PubChem (CID 110159406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).