4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde

C14H23N3OS — CID 79393172

IUPAC4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC(C)c1nc(N2CCN(C(C)C)CC2)sc1C=O
InChIInChI=1S/C14H23N3OS/c1-10(2)13-12(9-18)19-14(15-13)17-7-5-16(6-8-17)11(3)4/h9-11H,5-8H2,1-4H3
InChIKeyZGAKYDXOHYCBSG-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.61
Rot. Bonds4

About 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde

4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 79393172) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID79393172
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESCC(C)c1nc(N2CCN(C(C)C)CC2)sc1C=O
InChIInChI=1S/C14H23N3OS/c1-10(2)13-12(9-18)19-14(15-13)17-7-5-16(6-8-17)11(3)4/h9-11H,5-8H2,1-4H3
InChIKeyZGAKYDXOHYCBSG-UHFFFAOYSA-N
XLogP2.61
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2-piperidin-1-yl-thiazole-5-carbaldehyde
CID 2402636
1-(4-Methyl-2-(4-methylpiperazin-1-yl)thiazol-5-yl)ethan-1-one
CID 9111631
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 55113370
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
CID 55113371
4-Ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764568
4-Tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764744
4-Ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764745
4-Tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62764916
4-Tert-butyl-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765085
4-Ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765254
4-Ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765256
4-Tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765421

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 79393172) is 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde is CC(C)c1nc(N2CCN(C(C)C)CC2)sc1C=O.
What is the InChIKey of 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is ZGAKYDXOHYCBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(2)13-12(9-18)19-14(15-13)17-7-5-16(6-8-17)11(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 281.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 79393172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).