[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone

C23H28N4O2S — CID 134146106

IUPAC[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1
InChIInChI=1S/C23H28N4O2S/c28-23(20-5-3-17-29-20)27-11-8-18(9-12-27)7-10-25-13-15-26(16-14-25)22-19-4-1-2-6-21(19)30-24-22/h1-6,17-18H,7-16H2
InChIKeyDGSJCQBCZUXHPR-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.95
Rot. Bonds5

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

[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 134146106) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is [4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID134146106
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1
InChIInChI=1S/C23H28N4O2S/c28-23(20-5-3-17-29-20)27-11-8-18(9-12-27)7-10-25-13-15-26(16-14-25)22-19-4-1-2-6-21(19)30-24-22/h1-6,17-18H,7-16H2
InChIKeyDGSJCQBCZUXHPR-UHFFFAOYSA-N
XLogP3.95
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
CID 86342156
N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 44447039
N-[[4-[[4-(6-chloro-1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide
CID 134138881
N-[4-[2-[4-(6-nitro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
CID 134153418
N-[[4-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]furan-2-carboxamide
CID 134154943
N-[4-[2-[4-(6-amino-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
CID 134146083
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 86342233
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-cyanofuran-2-carboxamide
CID 86342234
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-tert-butylfuran-2-carboxamide
CID 86342263
5-acetyl-N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
CID 86342265
US12180213, Example 45
CID 166583858
N-[4-[2-[4-(1,2-benzothiazol-3-ylmethyl)piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
CID 146168182

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone (CID 134146106) is [4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1.
What is the InChIKey of [4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is DGSJCQBCZUXHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c28-23(20-5-3-17-29-20)27-11-8-18(9-12-27)7-10-25-13-15-26(16-14-25)22-19-4-1-2-6-21(19)30-24-22/h1-6,17-18H,7-16H2.
What are the key properties of [4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 424.57 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 134146106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).