3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole

C18H21N3OS — CID 91840906

IUPAC3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole
SMILESc1coc(CCCN2CCN(c3nsc4ccccc34)CC2)c1
InChIInChI=1S/C18H21N3OS/c1-2-8-17-16(7-1)18(19-23-17)21-12-10-20(11-13-21)9-3-5-15-6-4-14-22-15/h1-2,4,6-8,14H,3,5,9-13H2
InChIKeyAUFHUEUXVKXNMF-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.64
Rot. Bonds5

About 3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole

3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole (PubChem CID 91840906) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole.

Molecular Properties

Compound Name3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole
PubChem CID91840906
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole
SMILESc1coc(CCCN2CCN(c3nsc4ccccc34)CC2)c1
InChIInChI=1S/C18H21N3OS/c1-2-8-17-16(7-1)18(19-23-17)21-12-10-20(11-13-21)9-3-5-15-6-4-14-22-15/h1-2,4,6-8,14H,3,5,9-13H2
InChIKeyAUFHUEUXVKXNMF-UHFFFAOYSA-N
XLogP3.64
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethanamine
CID 66801585
(3aR,4S,7R,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 10599242
3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-1,2-benzothiazole
CID 54670950
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride
CID 13232485
1-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4,4-diethylpiperidine-2,6-dione
CID 13232494
5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butanoyl]thiophene-2-carboxylic acid
CID 19372839
3-[4-[4-(3-methyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl)butyl]piperazin-1-yl]-1,2-benzothiazole
CID 174338775
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-2-carboxamide;hydrochloride
CID 67841314
3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole
CID 141087229
3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 44518811

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole?
The IUPAC name of 3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole (CID 91840906) is 3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole.
What is the SMILES notation for 3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole?
The canonical SMILES for 3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole is c1coc(CCCN2CCN(c3nsc4ccccc34)CC2)c1.
What is the InChIKey of 3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole?
The InChIKey is AUFHUEUXVKXNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-2-8-17-16(7-1)18(19-23-17)21-12-10-20(11-13-21)9-3-5-15-6-4-14-22-15/h1-2,4,6-8,14H,3,5,9-13H2.
What are the key properties of 3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole?
3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole has a molecular weight of 327.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole is sourced from PubChem (CID 91840906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).