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

C15H26Cl2N4O2S — CID 119864310

IUPAC[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
SMILESCCc1nc(CN2CCN(C(=O)C3COCCN3)CC2)cs1.Cl.Cl
InChIInChI=1S/C15H24N4O2S.2ClH/c1-2-14-17-12(11-22-14)9-18-4-6-19(7-5-18)15(20)13-10-21-8-3-16-13;;/h11,13,16H,2-10H2,1H3;2*1H
InChIKeyCDLQFCGILUVEIO-UHFFFAOYSA-N
MW397.37 g/mol
LogP1.18
Rot. Bonds4

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

[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride (PubChem CID 119864310) 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]-morpholin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
PubChem CID119864310
Molecular FormulaC15H26Cl2N4O2S
Molecular Weight397.37 g/mol
Exact Mass396.12
IUPAC Name[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
SMILESCCc1nc(CN2CCN(C(=O)C3COCCN3)CC2)cs1.Cl.Cl
InChIInChI=1S/C15H24N4O2S.2ClH/c1-2-14-17-12(11-22-14)9-18-4-6-19(7-5-18)15(20)13-10-21-8-3-16-13;;/h11,13,16H,2-10H2,1H3;2*1H
InChIKeyCDLQFCGILUVEIO-UHFFFAOYSA-N
XLogP1.18
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119864336
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120799077
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119864313
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 132969827
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119864358
1-(4-ethylphenyl)-4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 60578396
morpholin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 119863934
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120645379
6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 56798848
[4-[(2-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94163832
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119854081

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
The IUPAC name of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride (CID 119864310) is [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
The canonical SMILES for [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride is CCc1nc(CN2CCN(C(=O)C3COCCN3)CC2)cs1.Cl.Cl.
What is the InChIKey of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
The InChIKey is CDLQFCGILUVEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.2ClH/c1-2-14-17-12(11-22-14)9-18-4-6-19(7-5-18)15(20)13-10-21-8-3-16-13;;/h11,13,16H,2-10H2,1H3;2*1H.
What are the key properties of [4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride?
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride has a molecular weight of 397.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 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]-morpholin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 119864310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).