2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

C15H28N4OS — CID 45191599

IUPAC2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2cnc(N(C)C)s2)CC1CCO
InChIInChI=1S/C15H28N4OS/c1-12(2)19-7-6-18(10-13(19)5-8-20)11-14-9-16-15(21-14)17(3)4/h9,12-13,20H,5-8,10-11H2,1-4H3
InChIKeyUYTDXMWFZYPYNR-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.49
Rot. Bonds6

About 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 45191599) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID45191599
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2cnc(N(C)C)s2)CC1CCO
InChIInChI=1S/C15H28N4OS/c1-12(2)19-7-6-18(10-13(19)5-8-20)11-14-9-16-15(21-14)17(3)4/h9,12-13,20H,5-8,10-11H2,1-4H3
InChIKeyUYTDXMWFZYPYNR-UHFFFAOYSA-N
XLogP1.49
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol with MolForge

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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-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28697227
2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 98677649
2-[(2R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
CID 98770541
2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 51636089
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45173043
5-[[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 28729555
2-[4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45221443
2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 29212798
2-[(2R)-1-(3-methylbutyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 98591177
2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 92764625
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30673763

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 45191599) is 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is CC(C)N1CCN(Cc2cnc(N(C)C)s2)CC1CCO.
What is the InChIKey of 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is UYTDXMWFZYPYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-12(2)19-7-6-18(10-13(19)5-8-20)11-14-9-16-15(21-14)17(3)4/h9,12-13,20H,5-8,10-11H2,1-4H3.
What are the key properties of 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 312.48 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45191599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).