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

C19H20ClN3S — CID 173279216

IUPAC2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
SMILESCC(c1nc2ccccc2s1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3S/c1-14(19-21-17-4-2-3-5-18(17)24-19)22-10-12-23(13-11-22)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
InChIKeySBSDYYUXUSUHKU-UHFFFAOYSA-N
MW357.91 g/mol
LogP4.83
Rot. Bonds3

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

2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole (PubChem CID 173279216) has the molecular formula C19H20ClN3S and a molecular weight of 357.91 g/mol. Its IUPAC name is 2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
PubChem CID173279216
Molecular FormulaC19H20ClN3S
Molecular Weight357.91 g/mol
Exact Mass357.11
IUPAC Name2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
SMILESCC(c1nc2ccccc2s1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3S/c1-14(19-21-17-4-2-3-5-18(17)24-19)22-10-12-23(13-11-22)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
InChIKeySBSDYYUXUSUHKU-UHFFFAOYSA-N
XLogP4.83
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 70186942
1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 47110924
2-(1,3-benzothiazol-2-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine;dihydrochloride
CID 70186945
2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 34041760
2-[(1R)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 34041509
2-[1-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 46827972
2-[(1S)-1-[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole
CID 51869364
2-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-1,3-benzothiazole
CID 63861175
2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]-4,5-dichloropyridazin-3-one
CID 46628729
2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide
CID 30621769
2-[(1S)-1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 34041712
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole
CID 46823413

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole?
The IUPAC name of 2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole (CID 173279216) is 2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole is CC(c1nc2ccccc2s1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole?
The InChIKey is SBSDYYUXUSUHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3S/c1-14(19-21-17-4-2-3-5-18(17)24-19)22-10-12-23(13-11-22)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole?
2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole has a molecular weight of 357.91 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole is sourced from PubChem (CID 173279216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).