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

C14H24N4O2S — CID 91831618

IUPAC2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOCCN(CC(=O)N1CCN(C)CC1)Cc1nccs1
InChIInChI=1S/C14H24N4O2S/c1-16-4-6-18(7-5-16)14(19)12-17(8-9-20-2)11-13-15-3-10-21-13/h3,10H,4-9,11-12H2,1-2H3
InChIKeyCYKXWJBOZZOGJW-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.37
Rot. Bonds7

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

2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 91831618) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID91831618
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOCCN(CC(=O)N1CCN(C)CC1)Cc1nccs1
InChIInChI=1S/C14H24N4O2S/c1-16-4-6-18(7-5-16)14(19)12-17(8-9-20-2)11-13-15-3-10-21-13/h3,10H,4-9,11-12H2,1-2H3
InChIKeyCYKXWJBOZZOGJW-UHFFFAOYSA-N
XLogP0.37
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
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-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 91831618) is 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is COCCN(CC(=O)N1CCN(C)CC1)Cc1nccs1.
What is the InChIKey of 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is CYKXWJBOZZOGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-16-4-6-18(7-5-16)14(19)12-17(8-9-20-2)11-13-15-3-10-21-13/h3,10H,4-9,11-12H2,1-2H3.
What are the key properties of 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 312.44 g/mol, XLogP of 0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1,3-thiazol-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 91831618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).