5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine

C11H20N4OS — CID 120897925

IUPAC5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOCCN1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C11H20N4OS/c1-16-7-6-14-2-4-15(5-3-14)9-10-8-13-11(12)17-10/h8H,2-7,9H2,1H3,(H2,12,13)
InChIKeyHSVQPFQOTOOGCG-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.49
Rot. Bonds5

About 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120897925) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120897925
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOCCN1CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C11H20N4OS/c1-16-7-6-14-2-4-15(5-3-14)9-10-8-13-11(12)17-10/h8H,2-7,9H2,1H3,(H2,12,13)
InChIKeyHSVQPFQOTOOGCG-UHFFFAOYSA-N
XLogP0.49
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120897925) is 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is COCCN1CCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is HSVQPFQOTOOGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-16-7-6-14-2-4-15(5-3-14)9-10-8-13-11(12)17-10/h8H,2-7,9H2,1H3,(H2,12,13).
What are the key properties of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 256.37 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120897925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).