2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde

C15H26N2O2S — CID 62765094

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
SMILESCCC(C)N(CCOC)c1nc(C(C)(C)C)c(C=O)s1
InChIInChI=1S/C15H26N2O2S/c1-7-11(2)17(8-9-19-6)14-16-13(15(3,4)5)12(10-18)20-14/h10-11H,7-9H2,1-6H3
InChIKeyJGAKTPNRAQSHFT-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.50
Rot. Bonds7

About 2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde

2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62765094) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
PubChem CID62765094
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
SMILESCCC(C)N(CCOC)c1nc(C(C)(C)C)c(C=O)s1
InChIInChI=1S/C15H26N2O2S/c1-7-11(2)17(8-9-19-6)14-16-13(15(3,4)5)12(10-18)20-14/h10-11H,7-9H2,1-6H3
InChIKeyJGAKTPNRAQSHFT-UHFFFAOYSA-N
XLogP3.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764206
2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
CID 62766122
2-[butan-2-yl(methyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
CID 62765416
4-tert-butyl-2-[ethyl(propan-2-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764737
2-[2-methoxyethyl(pentan-3-yl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393400
2-[2-methoxyethyl(pentan-3-yl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509060
4-cyclopropyl-2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63918151
4-tert-butyl-2-[ethyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 55112984
2-[butan-2-yl(butyl)amino]-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393324
4-tert-butyl-2-[cyclopropyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765753
4-tert-butyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63512891
methyl 2-[butan-2-yl(2-methoxyethyl)amino]-4-chloro-1,3-thiazole-5-carboxylate
CID 55000172

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde (CID 62765094) is 2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde is CCC(C)N(CCOC)c1nc(C(C)(C)C)c(C=O)s1.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is JGAKTPNRAQSHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-7-11(2)17(8-9-19-6)14-16-13(15(3,4)5)12(10-18)20-14/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde?
2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 298.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).