4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole

C20H28N2S — CID 18187563

IUPAC4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole
SMILESCCc1nc(Cc2ccc(C(C)C)cc2)sc1C1CCNCC1
InChIInChI=1S/C20H28N2S/c1-4-18-20(17-9-11-21-12-10-17)23-19(22-18)13-15-5-7-16(8-6-15)14(2)3/h5-8,14,17,21H,4,9-13H2,1-3H3
InChIKeyZWMJQMRTGWFDNE-UHFFFAOYSA-N
MW328.52 g/mol
LogP4.89
Rot. Bonds5

About 4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole

4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole (PubChem CID 18187563) has the molecular formula C20H28N2S and a molecular weight of 328.52 g/mol. Its IUPAC name is 4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole
PubChem CID18187563
Molecular FormulaC20H28N2S
Molecular Weight328.52 g/mol
Exact Mass328.20
IUPAC Name4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole
SMILESCCc1nc(Cc2ccc(C(C)C)cc2)sc1C1CCNCC1
InChIInChI=1S/C20H28N2S/c1-4-18-20(17-9-11-21-12-10-17)23-19(22-18)13-15-5-7-16(8-6-15)14(2)3/h5-8,14,17,21H,4,9-13H2,1-3H3
InChIKeyZWMJQMRTGWFDNE-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole (CID 18187563) is 4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole is CCc1nc(Cc2ccc(C(C)C)cc2)sc1C1CCNCC1.
What is the InChIKey of 4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole?
The InChIKey is ZWMJQMRTGWFDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2S/c1-4-18-20(17-9-11-21-12-10-17)23-19(22-18)13-15-5-7-16(8-6-15)14(2)3/h5-8,14,17,21H,4,9-13H2,1-3H3.
What are the key properties of 4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole?
4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole has a molecular weight of 328.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 18187563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).