N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine

C14H26N4OS — CID 62569125

IUPACN-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
SMILESCOCCNCCCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C14H26N4OS/c1-19-12-5-15-4-2-3-7-17-8-10-18(11-9-17)14-16-6-13-20-14/h6,13,15H,2-5,7-12H2,1H3
InChIKeyQYGBVHROISWFJC-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.28
Rot. Bonds9

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

N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine (PubChem CID 62569125) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
PubChem CID62569125
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC NameN-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
SMILESCOCCNCCCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C14H26N4OS/c1-19-12-5-15-4-2-3-7-17-8-10-18(11-9-17)14-16-6-13-20-14/h6,13,15H,2-5,7-12H2,1H3
InChIKeyQYGBVHROISWFJC-UHFFFAOYSA-N
XLogP1.28
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine (CID 62569125) is N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine is COCCNCCCCN1CCN(c2nccs2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine?
The InChIKey is QYGBVHROISWFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-19-12-5-15-4-2-3-7-17-8-10-18(11-9-17)14-16-6-13-20-14/h6,13,15H,2-5,7-12H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine?
N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine has a molecular weight of 298.46 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 62569125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).