2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

C16H29ClN4OS — CID 98586777

IUPAC2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2sc(N(C)C)nc2Cl)C[C@H]1CCO
InChIInChI=1S/C16H29ClN4OS/c1-12(2)9-21-7-6-20(10-13(21)5-8-22)11-14-15(17)18-16(23-14)19(3)4/h12-13,22H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyWOQMEYOTMWVGCC-CYBMUJFWSA-N
MW360.96 g/mol
LogP2.39
Rot. Bonds7

About 2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 98586777) has the molecular formula C16H29ClN4OS and a molecular weight of 360.96 g/mol. Its IUPAC name is 2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID98586777
Molecular FormulaC16H29ClN4OS
Molecular Weight360.96 g/mol
Exact Mass360.18
IUPAC Name2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(Cc2sc(N(C)C)nc2Cl)C[C@H]1CCO
InChIInChI=1S/C16H29ClN4OS/c1-12(2)9-21-7-6-20(10-13(21)5-8-22)11-14-15(17)18-16(23-14)19(3)4/h12-13,22H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyWOQMEYOTMWVGCC-CYBMUJFWSA-N
XLogP2.39
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.96
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45206538
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2-[1-(2-methylpropyl)-4-pentylpiperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 98586777) is 2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is CC(C)CN1CCN(Cc2sc(N(C)C)nc2Cl)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is WOQMEYOTMWVGCC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H29ClN4OS/c1-12(2)9-21-7-6-20(10-13(21)5-8-22)11-14-15(17)18-16(23-14)19(3)4/h12-13,22H,5-11H2,1-4H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 360.96 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98586777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).