5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

C16H20ClN3S — CID 120780059

IUPAC5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCNCC2c2cccc(Cl)c2)s1
InChIInChI=1S/C16H20ClN3S/c1-11-16(21-12(2)19-11)10-20-7-6-18-9-15(20)13-4-3-5-14(17)8-13/h3-5,8,15,18H,6-7,9-10H2,1-2H3
InChIKeyJUARKINRSCNGOP-UHFFFAOYSA-N
MW321.88 g/mol
LogP3.56
Rot. Bonds3

About 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 120780059) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID120780059
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCNCC2c2cccc(Cl)c2)s1
InChIInChI=1S/C16H20ClN3S/c1-11-16(21-12(2)19-11)10-20-7-6-18-9-15(20)13-4-3-5-14(17)8-13/h3-5,8,15,18H,6-7,9-10H2,1-2H3
InChIKeyJUARKINRSCNGOP-UHFFFAOYSA-N
XLogP3.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120780202
2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120846864
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (CID 120780059) is 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(CN2CCNCC2c2cccc(Cl)c2)s1.
What is the InChIKey of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is JUARKINRSCNGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-11-16(21-12(2)19-11)10-20-7-6-18-9-15(20)13-4-3-5-14(17)8-13/h3-5,8,15,18H,6-7,9-10H2,1-2H3.
What are the key properties of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 321.88 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 120780059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).