[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride

C15H26Cl2N4O2S — CID 119864336

IUPAC[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
SMILESCCc1nc(CN2CCN(C(=O)C3CC(O)CN3)CC2)cs1.Cl.Cl
InChIInChI=1S/C15H24N4O2S.2ClH/c1-2-14-17-11(10-22-14)9-18-3-5-19(6-4-18)15(21)13-7-12(20)8-16-13;;/h10,12-13,16,20H,2-9H2,1H3;2*1H
InChIKeyZAERBSRZWCBCNY-UHFFFAOYSA-N
MW397.37 g/mol
LogP0.92
Rot. Bonds4

About [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride

[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride (PubChem CID 119864336) has the molecular formula C15H26Cl2N4O2S and a molecular weight of 397.37 g/mol. Its IUPAC name is [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
PubChem CID119864336
Molecular FormulaC15H26Cl2N4O2S
Molecular Weight397.37 g/mol
Exact Mass396.12
IUPAC Name[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
SMILESCCc1nc(CN2CCN(C(=O)C3CC(O)CN3)CC2)cs1.Cl.Cl
InChIInChI=1S/C15H24N4O2S.2ClH/c1-2-14-17-11(10-22-14)9-18-3-5-19(6-4-18)15(21)13-7-12(20)8-16-13;;/h10,12-13,16,20H,2-9H2,1H3;2*1H
InChIKeyZAERBSRZWCBCNY-UHFFFAOYSA-N
XLogP0.92
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
CID 119864310
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119882280
(4-hydroxypyrrolidin-2-yl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119837405
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119864313
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119831321
1-(4-ethylphenyl)-4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 60578396
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119886786
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 132969827
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 124683941
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120799077
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119864358
[4-(2-ethoxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119843322

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride?
The IUPAC name of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride (CID 119864336) is [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride?
The canonical SMILES for [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride is CCc1nc(CN2CCN(C(=O)C3CC(O)CN3)CC2)cs1.Cl.Cl.
What is the InChIKey of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride?
The InChIKey is ZAERBSRZWCBCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.2ClH/c1-2-14-17-11(10-22-14)9-18-3-5-19(6-4-18)15(21)13-7-12(20)8-16-13;;/h10,12-13,16,20H,2-9H2,1H3;2*1H.
What are the key properties of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride?
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride has a molecular weight of 397.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 119864336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).