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

C22H26N4S — CID 78787507

IUPAC2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)c1ccc(-c2ncc(CN3CCN(c4ccccn4)CC3)s2)cc1
InChIInChI=1S/C22H26N4S/c1-17(2)18-6-8-19(9-7-18)22-24-15-20(27-22)16-25-11-13-26(14-12-25)21-5-3-4-10-23-21/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyHRBVJCPVFAVPNQ-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.65
Rot. Bonds5

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

2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 78787507) has the molecular formula C22H26N4S and a molecular weight of 378.55 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID78787507
Molecular FormulaC22H26N4S
Molecular Weight378.55 g/mol
Exact Mass378.19
IUPAC Name2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)c1ccc(-c2ncc(CN3CCN(c4ccccn4)CC3)s2)cc1
InChIInChI=1S/C22H26N4S/c1-17(2)18-6-8-19(9-7-18)22-24-15-20(27-22)16-25-11-13-26(14-12-25)21-5-3-4-10-23-21/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyHRBVJCPVFAVPNQ-UHFFFAOYSA-N
XLogP4.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 78835226
oxolan-2-yl-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 78787878
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
1-(4-propan-2-ylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2882133
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
5-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine
CID 70004622
1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 764380
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
1-[(5-nitrothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 791316
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 78787507) is 2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is CC(C)c1ccc(-c2ncc(CN3CCN(c4ccccn4)CC3)s2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is HRBVJCPVFAVPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4S/c1-17(2)18-6-8-19(9-7-18)22-24-15-20(27-22)16-25-11-13-26(14-12-25)21-5-3-4-10-23-21/h3-10,15,17H,11-14,16H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 378.55 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 78787507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).