2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol

C21H32N4O2S — CID 28697227

IUPAC2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1C
InChIInChI=1S/C21H32N4O2S/c1-16-11-17(5-6-20(16)27-4)13-25-9-8-24(14-18(25)7-10-26)15-19-12-22-21(28-19)23(2)3/h5-6,11-12,18,26H,7-10,13-15H2,1-4H3/t18-/m0/s1
InChIKeyCYRJBFFIKVNUNV-SFHVURJKSA-N
MW404.58 g/mol
LogP2.59
Rot. Bonds8

About 2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 28697227) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is 2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID28697227
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Name2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1C
InChIInChI=1S/C21H32N4O2S/c1-16-11-17(5-6-20(16)27-4)13-25-9-8-24(14-18(25)7-10-26)15-19-12-22-21(28-19)23(2)3/h5-6,11-12,18,26H,7-10,13-15H2,1-4H3/t18-/m0/s1
InChIKeyCYRJBFFIKVNUNV-SFHVURJKSA-N
XLogP2.59
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol 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-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol
CID 29209101
2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 98583956
2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28882367
2-[4-[(3,4-difluorophenyl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45188212
2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 29258024
2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 28954845
4-[5-[[(3R)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]thiophen-2-yl]-2-methylbut-3-yn-2-ol
CID 98587281
2-[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 95874444
N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 45206750
N-[4-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 29258231
2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45175940
2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 51634550

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 28697227) is 2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol is COc1ccc(CN2CCN(Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1C.
What is the InChIKey of 2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is CYRJBFFIKVNUNV-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-16-11-17(5-6-20(16)27-4)13-25-9-8-24(14-18(25)7-10-26)15-19-12-22-21(28-19)23(2)3/h5-6,11-12,18,26H,7-10,13-15H2,1-4H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 404.58 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 28697227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).