[5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone

C19H21N3O2S — CID 4803580

IUPAC[5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C19H21N3O2S/c1-2-9-21-10-12-22(13-11-21)19(23)16-8-7-15(24-16)18-20-14-5-3-4-6-17(14)25-18/h3-8H,2,9-13H2,1H3
InChIKeyDNMZWFBLNXIJEH-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.72
Rot. Bonds4

About [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone

[5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 4803580) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID4803580
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name[5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C19H21N3O2S/c1-2-9-21-10-12-22(13-11-21)19(23)16-8-7-15(24-16)18-20-14-5-3-4-6-17(14)25-18/h3-8H,2,9-13H2,1H3
InChIKeyDNMZWFBLNXIJEH-UHFFFAOYSA-N
XLogP3.72
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 46592388
1-[4-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78853222
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541500
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87042187
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanone;dihydrochloride
CID 120815551
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
CID 112789748
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 24612699
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane
CID 143404437
5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide
CID 46476694
methyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 71886107
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone (CID 4803580) is [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1.
What is the InChIKey of [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is DNMZWFBLNXIJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-9-21-10-12-22(13-11-21)19(23)16-8-7-15(24-16)18-20-14-5-3-4-6-17(14)25-18/h3-8H,2,9-13H2,1H3.
What are the key properties of [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone?
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 355.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 4803580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).