furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C17H17N3O3S — CID 7292559

IUPACfuran-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2nc(N3CCN(C(=O)c4ccco4)CC3)sc2c1
InChIInChI=1S/C17H17N3O3S/c1-22-12-4-5-13-15(11-12)24-17(18-13)20-8-6-19(7-9-20)16(21)14-3-2-10-23-14/h2-5,10-11H,6-9H2,1H3
InChIKeyLWHNXFGHVIWAPD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.86
Rot. Bonds3

About furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 7292559) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID7292559
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Namefuran-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2nc(N3CCN(C(=O)c4ccco4)CC3)sc2c1
InChIInChI=1S/C17H17N3O3S/c1-22-12-4-5-13-15(11-12)24-17(18-13)20-8-6-19(7-9-20)16(21)14-3-2-10-23-14/h2-5,10-11H,6-9H2,1H3
InChIKeyLWHNXFGHVIWAPD-UHFFFAOYSA-N
XLogP2.86
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 952238
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
[4-(4-Ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 7292609
(4-(4-Methoxybenzo[d]thiazol-2-yl)piperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 7539374
[4-(4,6-Difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 7539642
N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 2111813
N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
CID 2414029

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 7292559) is furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is COc1ccc2nc(N3CCN(C(=O)c4ccco4)CC3)sc2c1.
What is the InChIKey of furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is LWHNXFGHVIWAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-22-12-4-5-13-15(11-12)24-17(18-13)20-8-6-19(7-9-20)16(21)14-3-2-10-23-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 343.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).