4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole

C19H23N5S — CID 90533496

IUPAC4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESc1ccc(-c2nc(CN3CCN(CCn4ccnc4)CC3)cs2)cc1
InChIInChI=1S/C19H23N5S/c1-2-4-17(5-3-1)19-21-18(15-25-19)14-23-11-8-22(9-12-23)10-13-24-7-6-20-16-24/h1-7,15-16H,8-14H2
InChIKeyXFRAQSMUBZOVEE-UHFFFAOYSA-N
MW353.50 g/mol
LogP2.82
Rot. Bonds6

About 4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole

4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole (PubChem CID 90533496) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
PubChem CID90533496
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
SMILESc1ccc(-c2nc(CN3CCN(CCn4ccnc4)CC3)cs2)cc1
InChIInChI=1S/C19H23N5S/c1-2-4-17(5-3-1)19-21-18(15-25-19)14-23-11-8-22(9-12-23)10-13-24-7-6-20-16-24/h1-7,15-16H,8-14H2
InChIKeyXFRAQSMUBZOVEE-UHFFFAOYSA-N
XLogP2.82
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butanenitrile
CID 51075203
4-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195641
4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195276
1-[(4-bromophenyl)methyl]-4-(2-imidazol-1-ylethyl)piperazine
CID 90533467
2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22196990
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
2-ethyl-5-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30411659
N,N-dimethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 37105671
1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine
CID 90533564
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
3-phenyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30463070

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole (CID 90533496) is 4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole is c1ccc(-c2nc(CN3CCN(CCn4ccnc4)CC3)cs2)cc1.
What is the InChIKey of 4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
The InChIKey is XFRAQSMUBZOVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-2-4-17(5-3-1)19-21-18(15-25-19)14-23-11-8-22(9-12-23)10-13-24-7-6-20-16-24/h1-7,15-16H,8-14H2.
What are the key properties of 4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole?
4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole has a molecular weight of 353.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 90533496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).