2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one

C12H20N4O2S — CID 55080714

IUPAC2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
SMILESCOCCC(N)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H20N4O2S/c1-18-8-2-10(13)11(17)15-4-6-16(7-5-15)12-14-3-9-19-12/h3,9-10H,2,4-8,13H2,1H3
InChIKeyQLTSGTMCYVDDFQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.16
Rot. Bonds5

About 2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one

2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one (PubChem CID 55080714) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
PubChem CID55080714
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
SMILESCOCCC(N)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H20N4O2S/c1-18-8-2-10(13)11(17)15-4-6-16(7-5-15)12-14-3-9-19-12/h3,9-10H,2,4-8,13H2,1H3
InChIKeyQLTSGTMCYVDDFQ-UHFFFAOYSA-N
XLogP0.16
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one (CID 55080714) is 2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one is COCCC(N)C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one?
The InChIKey is QLTSGTMCYVDDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-18-8-2-10(13)11(17)15-4-6-16(7-5-15)12-14-3-9-19-12/h3,9-10H,2,4-8,13H2,1H3.
What are the key properties of 2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one?
2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one has a molecular weight of 284.38 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 55080714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).