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

C9H14N2O2S — CID 62750478

IUPAC2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCN(CCOC)c1ncc(C=O)s1
InChIInChI=1S/C9H14N2O2S/c1-3-11(4-5-13-2)9-10-6-8(7-12)14-9/h6-7H,3-5H2,1-2H3
InChIKeyDPRJUNFGHBBMHA-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.43
Rot. Bonds6

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

2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62750478) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62750478
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCN(CCOC)c1ncc(C=O)s1
InChIInChI=1S/C9H14N2O2S/c1-3-11(4-5-13-2)9-10-6-8(7-12)14-9/h6-7H,3-5H2,1-2H3
InChIKeyDPRJUNFGHBBMHA-UHFFFAOYSA-N
XLogP1.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.43
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-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 62750478) is 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde is CCN(CCOC)c1ncc(C=O)s1.
What is the InChIKey of 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is DPRJUNFGHBBMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-11(4-5-13-2)9-10-6-8(7-12)14-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde?
2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 214.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62750478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).