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

C13H20N4O2S — CID 53014670

IUPAC[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCN1CCN(c2nc(C(=O)N3CCOCC3)cs2)CC1
InChIInChI=1S/C13H20N4O2S/c1-15-2-4-17(5-3-15)13-14-11(10-20-13)12(18)16-6-8-19-9-7-16/h10H,2-9H2,1H3
InChIKeyVZMRMWOUKXUAIZ-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.37
Rot. Bonds2

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

[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 53014670) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID53014670
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCN1CCN(c2nc(C(=O)N3CCOCC3)cs2)CC1
InChIInChI=1S/C13H20N4O2S/c1-15-2-4-17(5-3-15)13-14-11(10-20-13)12(18)16-6-8-19-9-7-16/h10H,2-9H2,1H3
InChIKeyVZMRMWOUKXUAIZ-UHFFFAOYSA-N
XLogP0.37
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 53014670) is [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is CN1CCN(c2nc(C(=O)N3CCOCC3)cs2)CC1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is VZMRMWOUKXUAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-15-2-4-17(5-3-15)13-14-11(10-20-13)12(18)16-6-8-19-9-7-16/h10H,2-9H2,1H3.
What are the key properties of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 296.40 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53014670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).