[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

C18H19N3O2S — CID 7615277

IUPAC[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)sc2cc1C
InChIInChI=1S/C18H19N3O2S/c1-12-10-14-16(11-13(12)2)24-18(19-14)21-7-5-20(6-8-21)17(22)15-4-3-9-23-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyMVTIWSCUGSILOZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.47
Rot. Bonds2

About [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 7615277) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID7615277
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)sc2cc1C
InChIInChI=1S/C18H19N3O2S/c1-12-10-14-16(11-13(12)2)24-18(19-14)21-7-5-20(6-8-21)17(22)15-4-3-9-23-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyMVTIWSCUGSILOZ-UHFFFAOYSA-N
XLogP3.47
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 7615277) is [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is Cc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)sc2cc1C.
What is the InChIKey of [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MVTIWSCUGSILOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-10-14-16(11-13(12)2)24-18(19-14)21-7-5-20(6-8-21)17(22)15-4-3-9-23-15/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 341.44 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7615277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).