4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde

C14H20N2O2S — CID 63916614

IUPAC4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(CC1CCOCC1)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C14H20N2O2S/c1-16(8-10-4-6-18-7-5-10)14-15-13(11-2-3-11)12(9-17)19-14/h9-11H,2-8H2,1H3
InChIKeyLEXHYTZHFQXQCN-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.70
Rot. Bonds5

About 4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde

4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 63916614) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID63916614
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(CC1CCOCC1)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C14H20N2O2S/c1-16(8-10-4-6-18-7-5-10)14-15-13(11-2-3-11)12(9-17)19-14/h9-11H,2-8H2,1H3
InChIKeyLEXHYTZHFQXQCN-UHFFFAOYSA-N
XLogP2.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 63916614) is 4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde is CN(CC1CCOCC1)c1nc(C2CC2)c(C=O)s1.
What is the InChIKey of 4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is LEXHYTZHFQXQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-16(8-10-4-6-18-7-5-10)14-15-13(11-2-3-11)12(9-17)19-14/h9-11H,2-8H2,1H3.
What are the key properties of 4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde?
4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 280.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63916614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).