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

C17H15N3O3S — CID 46321786

IUPAC[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C17H15N3O3S/c21-16(13-5-3-11-23-13)19-7-9-20(10-8-19)17(22)15-12-4-1-2-6-14(12)24-18-15/h1-6,11H,7-10H2
InChIKeyKHGXYQSGRGHIIV-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.49
Rot. Bonds2

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

[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 46321786) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID46321786
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C17H15N3O3S/c21-16(13-5-3-11-23-13)19-7-9-20(10-8-19)17(22)15-12-4-1-2-6-14(12)24-18-15/h1-6,11H,7-10H2
InChIKeyKHGXYQSGRGHIIV-UHFFFAOYSA-N
XLogP2.49
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-benzothiazol-3-yl(piperidin-1-yl)methanone
CID 6625272
N-(1-adamantyl)-4-(1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide
CID 50805019
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methanone
CID 20932453
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-[5-[(2-fluorophenyl)methylsulfanylmethyl]furan-2-yl]methanone
CID 20932455
azepan-1-yl(furan-2-yl)methanone
CID 5200992
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 53270741
2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2-benzothiazol-3-one
CID 22514868
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
furan-2-yl-[4-[3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carbonyl]piperazin-1-yl]methanone
CID 110498474
4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 46358838
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 46321786) is [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(C(=O)c2nsc3ccccc23)CC1.
What is the InChIKey of [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is KHGXYQSGRGHIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-16(13-5-3-11-23-13)19-7-9-20(10-8-19)17(22)15-12-4-1-2-6-14(12)24-18-15/h1-6,11H,7-10H2.
What are the key properties of [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 341.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 46321786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).