2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole

C20H22N4S — CID 6470537

IUPAC2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1cccc(-c2nc(CN3CCN(c4ccccn4)CC3)cs2)c1
InChIInChI=1S/C20H22N4S/c1-16-5-4-6-17(13-16)20-22-18(15-25-20)14-23-9-11-24(12-10-23)19-7-2-3-8-21-19/h2-8,13,15H,9-12,14H2,1H3
InChIKeyOXDJLFQXFSYVPT-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.84
Rot. Bonds4

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

2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 6470537) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID6470537
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1cccc(-c2nc(CN3CCN(c4ccccn4)CC3)cs2)c1
InChIInChI=1S/C20H22N4S/c1-16-5-4-6-17(13-16)20-22-18(15-25-20)14-23-9-11-24(12-10-23)19-7-2-3-8-21-19/h2-8,13,15H,9-12,14H2,1H3
InChIKeyOXDJLFQXFSYVPT-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 22197561
3-(3-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 2997220
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22198420
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 8616101
N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 163346622
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22197125
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 8725468
2-(3-methylphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30463181

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 6470537) is 2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is Cc1cccc(-c2nc(CN3CCN(c4ccccn4)CC3)cs2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is OXDJLFQXFSYVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c1-16-5-4-6-17(13-16)20-22-18(15-25-20)14-23-9-11-24(12-10-23)19-7-2-3-8-21-19/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 350.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 6470537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).