2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde

C12H20N2O3S — CID 62765945

IUPAC2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N(CCOC)CCOC)sc1C=O
InChIInChI=1S/C12H20N2O3S/c1-4-10-11(9-15)18-12(13-10)14(5-7-16-2)6-8-17-3/h9H,4-8H2,1-3H3
InChIKeyZUKUDOFBNQFTDQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.62
Rot. Bonds9

About 2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde

2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62765945) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
PubChem CID62765945
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N(CCOC)CCOC)sc1C=O
InChIInChI=1S/C12H20N2O3S/c1-4-10-11(9-15)18-12(13-10)14(5-7-16-2)6-8-17-3/h9H,4-8H2,1-3H3
InChIKeyZUKUDOFBNQFTDQ-UHFFFAOYSA-N
XLogP1.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde (CID 62765945) is 2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde is CCc1nc(N(CCOC)CCOC)sc1C=O.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is ZUKUDOFBNQFTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-10-11(9-15)18-12(13-10)14(5-7-16-2)6-8-17-3/h9H,4-8H2,1-3H3.
What are the key properties of 2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde?
2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 272.37 g/mol, XLogP of 1.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).