4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole

C15H19N3S — CID 51073552

IUPAC4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESc1ccc(CN2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C15H19N3S/c1-2-4-14(5-3-1)10-17-6-8-18(9-7-17)11-15-12-19-13-16-15/h1-5,12-13H,6-11H2
InChIKeyZKXJMYYJEYVCKW-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.46
Rot. Bonds4

About 4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole

4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 51073552) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID51073552
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESc1ccc(CN2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C15H19N3S/c1-2-4-14(5-3-1)10-17-6-8-18(9-7-17)11-15-12-19-13-16-15/h1-5,12-13H,6-11H2
InChIKeyZKXJMYYJEYVCKW-UHFFFAOYSA-N
XLogP2.46
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 47071729
(2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide
CID 94809792
4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 136537455
4-[[4-(4-phenylmethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 86884421
(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 96560100
4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole
CID 126834123
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 51125406
4-[[4-(3-methylquinoxalin-2-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 133276196
2-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]-1,3-benzothiazole
CID 133276233
4-[(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)methyl]-1,3-thiazole
CID 154565148

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole (CID 51073552) is 4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole is c1ccc(CN2CCN(Cc3cscn3)CC2)cc1.
What is the InChIKey of 4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is ZKXJMYYJEYVCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-4-14(5-3-1)10-17-6-8-18(9-7-17)11-15-12-19-13-16-15/h1-5,12-13H,6-11H2.
What are the key properties of 4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole?
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 273.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 51073552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).