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

C14H19N3OS — CID 63915627

IUPAC4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCN(C3CC3)CC2)nc1C1CC1
InChIInChI=1S/C14H19N3OS/c18-9-12-13(10-1-2-10)15-14(19-12)17-7-5-16(6-8-17)11-3-4-11/h9-11H,1-8H2
InChIKeyXAOJCBATQCWTOU-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.12
Rot. Bonds4

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

4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 63915627) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID63915627
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCN(C3CC3)CC2)nc1C1CC1
InChIInChI=1S/C14H19N3OS/c18-9-12-13(10-1-2-10)15-14(19-12)17-7-5-16(6-8-17)11-3-4-11/h9-11H,1-8H2
InChIKeyXAOJCBATQCWTOU-UHFFFAOYSA-N
XLogP2.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.12
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-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 63915627) is 4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(N2CCN(C3CC3)CC2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is XAOJCBATQCWTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-9-12-13(10-1-2-10)15-14(19-12)17-7-5-16(6-8-17)11-3-4-11/h9-11H,1-8H2.
What are the key properties of 4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 277.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63915627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).