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

C14H16ClN3S — CID 78805879

IUPAC2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESClc1cccc(CN2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C14H16ClN3S/c15-13-3-1-2-12(10-13)11-17-5-7-18(8-6-17)14-16-4-9-19-14/h1-4,9-10H,5-8,11H2
InChIKeyCZXCGTVZKVALQM-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.12
Rot. Bonds3

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

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 78805879) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
PubChem CID78805879
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESClc1cccc(CN2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C14H16ClN3S/c15-13-3-1-2-12(10-13)11-17-5-7-18(8-6-17)14-16-4-9-19-14/h1-4,9-10H,5-8,11H2
InChIKeyCZXCGTVZKVALQM-UHFFFAOYSA-N
XLogP3.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole
CID 113249412
N-methyl-1-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methanamine
CID 62425656
actinium;[4-(chloromethyl)phenyl]methylazanide;[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]phenyl]methylazanide
CID 158755114
[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 62471387
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
N'-[[3-(azepan-1-ylmethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111087198
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106905543
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8599611
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine
CID 72866776
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 55541544
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole (CID 78805879) is 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole is Clc1cccc(CN2CCN(c3nccs3)CC2)c1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is CZXCGTVZKVALQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c15-13-3-1-2-12(10-13)11-17-5-7-18(8-6-17)14-16-4-9-19-14/h1-4,9-10H,5-8,11H2.
What are the key properties of 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 293.82 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 78805879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).