4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol

C24H28N4O3S2 — CID 136510365

IUPAC4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol
SMILESCc1csnc1-c1cc(CN2CC[C@]3(CCS(=O)(=O)N3c3ccccn3)C[C@@H]2C)ccc1O
InChIInChI=1S/C24H28N4O3S2/c1-17-16-32-26-23(17)20-13-19(6-7-21(20)29)15-27-11-8-24(14-18(27)2)9-12-33(30,31)28(24)22-5-3-4-10-25-22/h3-7,10,13,16,18,29H,8-9,11-12,14-15H2,1-2H3/t18-,24-/m0/s1
InChIKeyWVALDKFQZOIQBS-UUOWRZLLSA-N
MW484.65 g/mol
LogP4.18
Rot. Bonds4

About 4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol

4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol (PubChem CID 136510365) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is 4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol.

Molecular Properties

Compound Name4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol
PubChem CID136510365
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC Name4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol
SMILESCc1csnc1-c1cc(CN2CC[C@]3(CCS(=O)(=O)N3c3ccccn3)C[C@@H]2C)ccc1O
InChIInChI=1S/C24H28N4O3S2/c1-17-16-32-26-23(17)20-13-19(6-7-21(20)29)15-27-11-8-24(14-18(27)2)9-12-33(30,31)28(24)22-5-3-4-10-25-22/h3-7,10,13,16,18,29H,8-9,11-12,14-15H2,1-2H3/t18-,24-/m0/s1
InChIKeyWVALDKFQZOIQBS-UUOWRZLLSA-N
XLogP4.18
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol 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

4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol
CID 136510360
4-[[(5R,7S)-7-methyl-1-(6-methyl-2-pyridinyl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]dec-3-en-8-yl]methyl]-2-(3-methyl-2-pyridinyl)phenol
CID 136510331
2-(2-ethylphenyl)-4-[[(5R,7S)-1-(3-fluorophenyl)-2,2-dihydroxy-7-methyl-2λ4-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol
CID 57475554
6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol
CID 53483019
2-cyclopropyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]dec-3-en-8-yl]methyl]phenol
CID 67451833
(5R,7S)-8-[(3-chloro-4-hydroxyphenyl)methyl]-1-(3-fluorophenyl)-7-methyl-1,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 46208219
1-(3-fluorophenyl)-7-methyl-8-[[3-(4-methyl-3-pyridinyl)phenyl]methyl]-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 67028657
N-[4-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxo-2λ6-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]phenyl]acetamide
CID 66930819
(5R,7S)-1-(3-fluorophenyl)-7-methyl-8-[[3-(2-methylphenyl)phenyl]methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 46207823
1-(3-fluorophenyl)-7-methyl-8-[(3-propan-2-yloxyphenyl)methyl]-3-pyrimidin-2-yl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 68999832
(5R,7S)-8-[(3-ethoxyphenyl)methyl]-1-(3-fluorophenyl)-3,7-dimethyl-2λ6-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide
CID 66930555
4-(2-fluorophenyl)-6-[[(5R,7S)-1-(3-fluorophenyl)-2,2-dihydroxy-3,7-dimethyl-2λ4-thia-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]pyridin-3-ol
CID 66930511

Frequently Asked Questions

What is the IUPAC name of 4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol?
The IUPAC name of 4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol (CID 136510365) is 4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol.
What is the SMILES notation for 4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol?
The canonical SMILES for 4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol is Cc1csnc1-c1cc(CN2CC[C@]3(CCS(=O)(=O)N3c3ccccn3)C[C@@H]2C)ccc1O.
What is the InChIKey of 4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol?
The InChIKey is WVALDKFQZOIQBS-UUOWRZLLSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-17-16-32-26-23(17)20-13-19(6-7-21(20)29)15-27-11-8-24(14-18(27)2)9-12-33(30,31)28(24)22-5-3-4-10-25-22/h3-7,10,13,16,18,29H,8-9,11-12,14-15H2,1-2H3/t18-,24-/m0/s1.
What are the key properties of 4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol?
4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol has a molecular weight of 484.65 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5R,7S)-7-methyl-2,2-dioxo-1-pyridin-2-yl-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-2-(4-methyl-1,2-thiazol-3-yl)phenol is sourced from PubChem (CID 136510365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).