1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone

C15H24N4O2S — CID 110386953

IUPAC1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
SMILESCN1CCN(C(=O)Cc2csc(CN3CCOCC3)n2)CC1
InChIInChI=1S/C15H24N4O2S/c1-17-2-4-19(5-3-17)15(20)10-13-12-22-14(16-13)11-18-6-8-21-9-7-18/h12H,2-11H2,1H3
InChIKeyTYMCQCJPIHYKQQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.29
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 110386953) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID110386953
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
SMILESCN1CCN(C(=O)Cc2csc(CN3CCOCC3)n2)CC1
InChIInChI=1S/C15H24N4O2S/c1-17-2-4-19(5-3-17)15(20)10-13-12-22-14(16-13)11-18-6-8-21-9-7-18/h12H,2-11H2,1H3
InChIKeyTYMCQCJPIHYKQQ-UHFFFAOYSA-N
XLogP0.29
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386954
1-piperidin-1-yl-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386560
N-cyclopropyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386935
3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 82120518
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386604
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921
N-cyclohexyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386943
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 82547942
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108746674
2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768844
4-(bromomethyl)-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 82515456

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone (CID 110386953) is 1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone is CN1CCN(C(=O)Cc2csc(CN3CCOCC3)n2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is TYMCQCJPIHYKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-17-2-4-19(5-3-17)15(20)10-13-12-22-14(16-13)11-18-6-8-21-9-7-18/h12H,2-11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone?
1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 324.45 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 110386953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).