2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

C19H24N4OS2 — CID 29029658

IUPAC2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cccn2-c2nccs2)CCN1Cc1cccs1
InChIInChI=1S/C19H24N4OS2/c24-10-5-16-13-21(8-9-22(16)15-18-4-2-11-25-18)14-17-3-1-7-23(17)19-20-6-12-26-19/h1-4,6-7,11-12,16,24H,5,8-10,13-15H2/t16-/m1/s1
InChIKeyJZHUNQZQRIGJHF-MRXNPFEDSA-N
MW388.56 g/mol
LogP3.06
Rot. Bonds7

About 2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 29029658) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID29029658
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC Name2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cccn2-c2nccs2)CCN1Cc1cccs1
InChIInChI=1S/C19H24N4OS2/c24-10-5-16-13-21(8-9-22(16)15-18-4-2-11-25-18)14-17-3-1-7-23(17)19-20-6-12-26-19/h1-4,6-7,11-12,16,24H,5,8-10,13-15H2/t16-/m1/s1
InChIKeyJZHUNQZQRIGJHF-MRXNPFEDSA-N
XLogP3.06
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 29029660
2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 29212757
2-[(2S)-1-(thiophen-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 51634081
2-[(2S)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 28872070
2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 95188636
2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 92764853
2-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 51907458
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 98566069
2-[4-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 45216279
2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 51634602
1-[4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phenyl]imidazolidin-2-one
CID 45192912
2-[1-[(5-methylfuran-2-yl)methyl]-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45229158

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (CID 29029658) is 2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is OCC[C@@H]1CN(Cc2cccn2-c2nccs2)CCN1Cc1cccs1.
What is the InChIKey of 2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is JZHUNQZQRIGJHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4OS2/c24-10-5-16-13-21(8-9-22(16)15-18-4-2-11-25-18)14-17-3-1-7-23(17)19-20-6-12-26-19/h1-4,6-7,11-12,16,24H,5,8-10,13-15H2/t16-/m1/s1.
What are the key properties of 2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 388.56 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 29029658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).