4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde

C14H22N2OS — CID 79482453

IUPAC4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCC(C)CN(CC)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C14H22N2OS/c1-4-10(3)8-16(5-2)14-15-13(11-6-7-11)12(9-17)18-14/h9-11H,4-8H2,1-3H3
InChIKeyVMBOMRSGBCWBQR-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.71
Rot. Bonds7

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

4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 79482453) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID79482453
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCC(C)CN(CC)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C14H22N2OS/c1-4-10(3)8-16(5-2)14-15-13(11-6-7-11)12(9-17)18-14/h9-11H,4-8H2,1-3H3
InChIKeyVMBOMRSGBCWBQR-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.71
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-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde (CID 79482453) is 4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde is CCC(C)CN(CC)c1nc(C2CC2)c(C=O)s1.
What is the InChIKey of 4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is VMBOMRSGBCWBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-10(3)8-16(5-2)14-15-13(11-6-7-11)12(9-17)18-14/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde?
4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 266.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[ethyl(2-methylbutyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 79482453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).