2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde

C15H24N2OS — CID 63918534

IUPAC2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde
SMILESCC(C)CN(CC(C)C)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C15H24N2OS/c1-10(2)7-17(8-11(3)4)15-16-14(12-5-6-12)13(9-18)19-15/h9-12H,5-8H2,1-4H3
InChIKeySYOQEUFNKMCAOH-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.95
Rot. Bonds7

About 2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde

2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde (PubChem CID 63918534) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde
PubChem CID63918534
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde
SMILESCC(C)CN(CC(C)C)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C15H24N2OS/c1-10(2)7-17(8-11(3)4)15-16-14(12-5-6-12)13(9-18)19-15/h9-12H,5-8H2,1-4H3
InChIKeySYOQEUFNKMCAOH-UHFFFAOYSA-N
XLogP3.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.95
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 2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde (CID 63918534) is 2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde is CC(C)CN(CC(C)C)c1nc(C2CC2)c(C=O)s1.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is SYOQEUFNKMCAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)7-17(8-11(3)4)15-16-14(12-5-6-12)13(9-18)19-15/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde?
2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 280.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-4-cyclopropyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63918534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).