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

C21H22N4O4S — CID 5309767

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone
SMILESO=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H22N4O4S/c26-19(23-5-7-24(8-6-23)20(27)17-2-1-11-29-17)15-3-4-16-18(14-15)30-21(22-16)25-9-12-28-13-10-25/h1-4,11,14H,5-10,12-13H2
InChIKeyMBWUSPSATZDAKR-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.32
Rot. Bonds3

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

[4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone (PubChem CID 5309767) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone
PubChem CID5309767
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone
SMILESO=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H22N4O4S/c26-19(23-5-7-24(8-6-23)20(27)17-2-1-11-29-17)15-3-4-16-18(14-15)30-21(22-16)25-9-12-28-13-10-25/h1-4,11,14H,5-10,12-13H2
InChIKeyMBWUSPSATZDAKR-UHFFFAOYSA-N
XLogP2.32
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone (CID 5309767) is [4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone is O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone?
The InChIKey is MBWUSPSATZDAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-19(23-5-7-24(8-6-23)20(27)17-2-1-11-29-17)15-3-4-16-18(14-15)30-21(22-16)25-9-12-28-13-10-25/h1-4,11,14H,5-10,12-13H2.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone has a molecular weight of 426.50 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)methanone is sourced from PubChem (CID 5309767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).