2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde

C15H26N2O2S — CID 79393400

IUPAC2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
SMILESCCC(CC)N(CCOC)c1nc(C(C)C)c(C=O)s1
InChIInChI=1S/C15H26N2O2S/c1-6-12(7-2)17(8-9-19-5)15-16-14(11(3)4)13(10-18)20-15/h10-12H,6-9H2,1-5H3
InChIKeyAKUHHWIAUHFGAI-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.72
Rot. Bonds9

About 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde

2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 79393400) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
PubChem CID79393400
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
SMILESCCC(CC)N(CCOC)c1nc(C(C)C)c(C=O)s1
InChIInChI=1S/C15H26N2O2S/c1-6-12(7-2)17(8-9-19-5)15-16-14(11(3)4)13(10-18)20-15/h10-12H,6-9H2,1-5H3
InChIKeyAKUHHWIAUHFGAI-UHFFFAOYSA-N
XLogP3.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde (CID 79393400) is 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde is CCC(CC)N(CCOC)c1nc(C(C)C)c(C=O)s1.
What is the InChIKey of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is AKUHHWIAUHFGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-6-12(7-2)17(8-9-19-5)15-16-14(11(3)4)13(10-18)20-15/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 298.45 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 79393400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).