2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C20H21N3O4S2 — CID 2348019

IUPAC2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c1
InChIInChI=1S/C20H21N3O4S2/c1-2-26-14-5-6-15-17(12-14)29-20(21-15)28-13-18(24)22-7-9-23(10-8-22)19(25)16-4-3-11-27-16/h3-6,11-12H,2,7-10,13H2,1H3
InChIKeyZRMKJDGIHCZMAB-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.36
Rot. Bonds6

About 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 2348019) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID2348019
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c1
InChIInChI=1S/C20H21N3O4S2/c1-2-26-14-5-6-15-17(12-14)29-20(21-15)28-13-18(24)22-7-9-23(10-8-22)19(25)16-4-3-11-27-16/h3-6,11-12H,2,7-10,13H2,1H3
InChIKeyZRMKJDGIHCZMAB-UHFFFAOYSA-N
XLogP3.36
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(1,3-Benzothiazol-2-yl)-2-[1-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-ylidene]acetonitrile
CID 2308215
Furan-2-carboxylic acid 4-benzothiazol-2-yl-benzylamide
CID 2979650
N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
CID 2414029
N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide
CID 875146
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 1076222
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide
CID 2088481
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2348061
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2453397
N-(2-(diethylamino)ethyl)-N-(4-ethoxybenzo[d]thiazol-2-yl)furan-2-carboxamide hydrochloride
CID 7208471
Furan-2-yl(4-(6-methoxybenzo[d]thiazol-2-yl)piperazin-1-yl)methanone
CID 7292559
(4-(4,6-Difluorobenzo[d]thiazol-2-yl)piperazin-1-yl)(furan-2-yl)methanone
CID 7292657
[4-(6-Methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 7538979

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 2348019) is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is CCOc1ccc2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c1.
What is the InChIKey of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ZRMKJDGIHCZMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-2-26-14-5-6-15-17(12-14)29-20(21-15)28-13-18(24)22-7-9-23(10-8-22)19(25)16-4-3-11-27-16/h3-6,11-12H,2,7-10,13H2,1H3.
What are the key properties of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 431.54 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2348019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).