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

C22H25N3S — CID 8725468

IUPAC2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccc(-c2nc(CN3CCN(c4ccccc4C)CC3)cs2)cc1
InChIInChI=1S/C22H25N3S/c1-17-7-9-19(10-8-17)22-23-20(16-26-22)15-24-11-13-25(14-12-24)21-6-4-3-5-18(21)2/h3-10,16H,11-15H2,1-2H3
InChIKeyBPFNSAUSUKTCMQ-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.75
Rot. Bonds4

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

2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 8725468) has the molecular formula C22H25N3S and a molecular weight of 363.53 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID8725468
Molecular FormulaC22H25N3S
Molecular Weight363.53 g/mol
Exact Mass363.18
IUPAC Name2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccc(-c2nc(CN3CCN(c4ccccc4C)CC3)cs2)cc1
InChIInChI=1S/C22H25N3S/c1-17-7-9-19(10-8-17)22-23-20(16-26-22)15-24-11-13-25(14-12-24)21-6-4-3-5-18(21)2/h3-10,16H,11-15H2,1-2H3
InChIKeyBPFNSAUSUKTCMQ-UHFFFAOYSA-N
XLogP4.75
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22196990
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
CID 142643740
4-[[4-(2-ethylphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809613
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
3-methyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]aniline
CID 58107329
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22198373
4-[[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809646
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 55847157

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 8725468) is 2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole is Cc1ccc(-c2nc(CN3CCN(c4ccccc4C)CC3)cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BPFNSAUSUKTCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3S/c1-17-7-9-19(10-8-17)22-23-20(16-26-22)15-24-11-13-25(14-12-24)21-6-4-3-5-18(21)2/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 363.53 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 8725468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).