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

C14H24N2O3S — CID 107509060

IUPAC2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCCC(CC)N(CCOC)c1nc(COC)c(C=O)s1
InChIInChI=1S/C14H24N2O3S/c1-5-11(6-2)16(7-8-18-3)14-15-12(10-19-4)13(9-17)20-14/h9,11H,5-8,10H2,1-4H3
InChIKeyCVWRSAFETAJMJZ-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.74
Rot. Bonds10

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

2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 107509060) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
PubChem CID107509060
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCCC(CC)N(CCOC)c1nc(COC)c(C=O)s1
InChIInChI=1S/C14H24N2O3S/c1-5-11(6-2)16(7-8-18-3)14-15-12(10-19-4)13(9-17)20-14/h9,11H,5-8,10H2,1-4H3
InChIKeyCVWRSAFETAJMJZ-UHFFFAOYSA-N
XLogP2.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393400
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508930
2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764206
2-[bis(2-methoxyethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
CID 62765945
2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
CID 62765094
4-(methoxymethyl)-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 107508982
4-(methoxymethyl)-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 107509121
2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508965
2-[cycloheptyl(methyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508985
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509002
2-[butyl(cyclopropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509013
2-(4-ethyl-N-methylanilino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509033

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (CID 107509060) is 2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is CCC(CC)N(CCOC)c1nc(COC)c(C=O)s1.
What is the InChIKey of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is CVWRSAFETAJMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-11(6-2)16(7-8-18-3)14-15-12(10-19-4)13(9-17)20-14/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 300.42 g/mol, XLogP of 2.74, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 107509060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).