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

C16H21Cl2N3S — CID 120780162

IUPAC4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
SMILESCCc1nc(CN2CCNCC2c2cccc(Cl)c2)cs1.Cl
InChIInChI=1S/C16H20ClN3S.ClH/c1-2-16-19-14(11-21-16)10-20-7-6-18-9-15(20)12-4-3-5-13(17)8-12;/h3-5,8,11,15,18H,2,6-7,9-10H2,1H3;1H
InChIKeyVMVJQQWDUOPOGK-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.93
Rot. Bonds4

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

4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride (PubChem CID 120780162) has the molecular formula C16H21Cl2N3S and a molecular weight of 358.34 g/mol. Its IUPAC name is 4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
PubChem CID120780162
Molecular FormulaC16H21Cl2N3S
Molecular Weight358.34 g/mol
Exact Mass357.08
IUPAC Name4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
SMILESCCc1nc(CN2CCNCC2c2cccc(Cl)c2)cs1.Cl
InChIInChI=1S/C16H20ClN3S.ClH/c1-2-16-19-14(11-21-16)10-20-7-6-18-9-15(20)12-4-3-5-13(17)8-12;/h3-5,8,11,15,18H,2,6-7,9-10H2,1H3;1H
InChIKeyVMVJQQWDUOPOGK-UHFFFAOYSA-N
XLogP3.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120910725
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 120768960
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059
2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120780202
7-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 120771277
2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780200
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120768597
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120768598
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride (CID 120780162) is 4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride is CCc1nc(CN2CCNCC2c2cccc(Cl)c2)cs1.Cl.
What is the InChIKey of 4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride?
The InChIKey is VMVJQQWDUOPOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S.ClH/c1-2-16-19-14(11-21-16)10-20-7-6-18-9-15(20)12-4-3-5-13(17)8-12;/h3-5,8,11,15,18H,2,6-7,9-10H2,1H3;1H.
What are the key properties of 4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride?
4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride has a molecular weight of 358.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120780162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).