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

C16H26N2OS — CID 63512549

IUPAC4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCN(c1nc(C(C)(C)C)c(C=O)s1)C1CCCCC1
InChIInChI=1S/C16H26N2OS/c1-5-18(12-9-7-6-8-10-12)15-17-14(16(2,3)4)13(11-19)20-15/h11-12H,5-10H2,1-4H3
InChIKeyDQQUONPQLGFHBV-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.41
Rot. Bonds4

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

4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 63512549) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID63512549
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCN(c1nc(C(C)(C)C)c(C=O)s1)C1CCCCC1
InChIInChI=1S/C16H26N2OS/c1-5-18(12-9-7-6-8-10-12)15-17-14(16(2,3)4)13(11-19)20-15/h11-12H,5-10H2,1-4H3
InChIKeyDQQUONPQLGFHBV-UHFFFAOYSA-N
XLogP4.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 63512549) is 4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde is CCN(c1nc(C(C)(C)C)c(C=O)s1)C1CCCCC1.
What is the InChIKey of 4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is DQQUONPQLGFHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-18(12-9-7-6-8-10-12)15-17-14(16(2,3)4)13(11-19)20-15/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde?
4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 294.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[cyclohexyl(ethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63512549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).