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

C16H20ClN3S — CID 120768960

IUPAC4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(CN2CCNCC2c2ccccc2Cl)cs1
InChIInChI=1S/C16H20ClN3S/c1-2-16-19-12(11-21-16)10-20-8-7-18-9-15(20)13-5-3-4-6-14(13)17/h3-6,11,15,18H,2,7-10H2,1H3
InChIKeyXVUHNOLCBXUZSC-UHFFFAOYSA-N
MW321.88 g/mol
LogP3.51
Rot. Bonds4

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

4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole (PubChem CID 120768960) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
PubChem CID120768960
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(CN2CCNCC2c2ccccc2Cl)cs1
InChIInChI=1S/C16H20ClN3S/c1-2-16-19-12(11-21-16)10-20-8-7-18-9-15(20)13-5-3-4-6-14(13)17/h3-6,11,15,18H,2,7-10H2,1H3
InChIKeyXVUHNOLCBXUZSC-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
CID 120768875
4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 120757352
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-(furan-3-yl)-1,3-thiazole;dihydrochloride
CID 120757715
2-ethyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120910725
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
CID 120753805
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole (CID 120768960) is 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole is CCc1nc(CN2CCNCC2c2ccccc2Cl)cs1.
What is the InChIKey of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The InChIKey is XVUHNOLCBXUZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-2-16-19-12(11-21-16)10-20-8-7-18-9-15(20)13-5-3-4-6-14(13)17/h3-6,11,15,18H,2,7-10H2,1H3.
What are the key properties of 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole has a molecular weight of 321.88 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 120768960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).