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

C14H24N2O3S — CID 62766122

IUPAC2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
SMILESCOCCN(CCOC)c1nc(C(C)(C)C)c(C=O)s1
InChIInChI=1S/C14H24N2O3S/c1-14(2,3)12-11(10-17)20-13(15-12)16(6-8-18-4)7-9-19-5/h10H,6-9H2,1-5H3
InChIKeyVPESRLRJHQWYSS-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.35
Rot. Bonds8

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

2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62766122) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
PubChem CID62766122
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
SMILESCOCCN(CCOC)c1nc(C(C)(C)C)c(C=O)s1
InChIInChI=1S/C14H24N2O3S/c1-14(2,3)12-11(10-17)20-13(15-12)16(6-8-18-4)7-9-19-5/h10H,6-9H2,1-5H3
InChIKeyVPESRLRJHQWYSS-UHFFFAOYSA-N
XLogP2.35
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.35
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-tert-butyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde (CID 62766122) is 2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde is COCCN(CCOC)c1nc(C(C)(C)C)c(C=O)s1.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is VPESRLRJHQWYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-14(2,3)12-11(10-17)20-13(15-12)16(6-8-18-4)7-9-19-5/h10H,6-9H2,1-5H3.
What are the key properties of 2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde?
2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 300.42 g/mol, XLogP of 2.35, 8 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-tert-butyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62766122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).