4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole

C22H25N3S — CID 171913174

IUPAC4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESc1ccc(C(c2ccccc2)N2CCN(CCc3cscn3)CC2)cc1
InChIInChI=1S/C22H25N3S/c1-3-7-19(8-4-1)22(20-9-5-2-6-10-20)25-15-13-24(14-16-25)12-11-21-17-26-18-23-21/h1-10,17-18,22H,11-16H2
InChIKeyLJMYLHBUDGXYHA-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.09
Rot. Bonds6

About 4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole

4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 171913174) has the molecular formula C22H25N3S and a molecular weight of 363.53 g/mol. Its IUPAC name is 4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID171913174
Molecular FormulaC22H25N3S
Molecular Weight363.53 g/mol
Exact Mass363.18
IUPAC Name4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESc1ccc(C(c2ccccc2)N2CCN(CCc3cscn3)CC2)cc1
InChIInChI=1S/C22H25N3S/c1-3-7-19(8-4-1)22(20-9-5-2-6-10-20)25-15-13-24(14-16-25)12-11-21-17-26-18-23-21/h1-10,17-18,22H,11-16H2
InChIKeyLJMYLHBUDGXYHA-UHFFFAOYSA-N
XLogP4.09
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
1-benzhydryl-4-butylpiperazine
CID 13416419
1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine
CID 121433185
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
1-benzhydryl-4-[4-(pyridin-2-ylmethoxy)butyl]piperazine
CID 139685668
2-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 19370276
3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol
CID 121415159
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 171913174) is 4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole is c1ccc(C(c2ccccc2)N2CCN(CCc3cscn3)CC2)cc1.
What is the InChIKey of 4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is LJMYLHBUDGXYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3S/c1-3-7-19(8-4-1)22(20-9-5-2-6-10-20)25-15-13-24(14-16-25)12-11-21-17-26-18-23-21/h1-10,17-18,22H,11-16H2.
What are the key properties of 4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole?
4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 363.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 171913174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).