1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol

C16H22ClN3OS — CID 111858425

IUPAC1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
SMILESCC1CN=C(N2CCN(CC(O)c3ccccc3Cl)CC2)S1
InChIInChI=1S/C16H22ClN3OS/c1-12-10-18-16(22-12)20-8-6-19(7-9-20)11-15(21)13-4-2-3-5-14(13)17/h2-5,12,15,21H,6-11H2,1H3
InChIKeyMMYPZYFKDQSRSZ-UHFFFAOYSA-N
MW339.89 g/mol
LogP2.48
Rot. Bonds3

About 1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol

1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol (PubChem CID 111858425) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
PubChem CID111858425
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC Name1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
SMILESCC1CN=C(N2CCN(CC(O)c3ccccc3Cl)CC2)S1
InChIInChI=1S/C16H22ClN3OS/c1-12-10-18-16(22-12)20-8-6-19(7-9-20)11-15(21)13-4-2-3-5-14(13)17/h2-5,12,15,21H,6-11H2,1H3
InChIKeyMMYPZYFKDQSRSZ-UHFFFAOYSA-N
XLogP2.48
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
CID 111858419
(2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 96558635
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977
3-[[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]methyl]phenol
CID 111750511
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 95978859
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110911100
(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 95602478
2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-6-methyl-4H-1,3,4-thiadiazin-5-one
CID 23371575
1-(2-chlorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
CID 111105326
(2R)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 100866973
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 71932950

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol (CID 111858425) is 1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol is CC1CN=C(N2CCN(CC(O)c3ccccc3Cl)CC2)S1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
The InChIKey is MMYPZYFKDQSRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3OS/c1-12-10-18-16(22-12)20-8-6-19(7-9-20)11-15(21)13-4-2-3-5-14(13)17/h2-5,12,15,21H,6-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol?
1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol has a molecular weight of 339.89 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 111858425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).