4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde

C14H21N3OS — CID 63915806

IUPAC4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCCN1CCN(c2nc(C3CC3)c(C=O)s2)CC1
InChIInChI=1S/C14H21N3OS/c1-2-5-16-6-8-17(9-7-16)14-15-13(11-3-4-11)12(10-18)19-14/h10-11H,2-9H2,1H3
InChIKeyMEWWTMDPEZIUFD-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.37
Rot. Bonds5

About 4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde

4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 63915806) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID63915806
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCCN1CCN(c2nc(C3CC3)c(C=O)s2)CC1
InChIInChI=1S/C14H21N3OS/c1-2-5-16-6-8-17(9-7-16)14-15-13(11-3-4-11)12(10-18)19-14/h10-11H,2-9H2,1H3
InChIKeyMEWWTMDPEZIUFD-UHFFFAOYSA-N
XLogP2.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.37
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-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 63915806) is 4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde is CCCN1CCN(c2nc(C3CC3)c(C=O)s2)CC1.
What is the InChIKey of 4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is MEWWTMDPEZIUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-5-16-6-8-17(9-7-16)14-15-13(11-3-4-11)12(10-18)19-14/h10-11H,2-9H2,1H3.
What are the key properties of 4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 279.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63915806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).