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

C16H13F2N3O2S — CID 7292657

IUPAC[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1
InChIInChI=1S/C16H13F2N3O2S/c17-10-8-11(18)14-13(9-10)24-16(19-14)21-5-3-20(4-6-21)15(22)12-2-1-7-23-12/h1-2,7-9H,3-6H2
InChIKeyGBVHENDUCYMPKO-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.13
Rot. Bonds2

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

[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 7292657) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID7292657
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1
InChIInChI=1S/C16H13F2N3O2S/c17-10-8-11(18)14-13(9-10)24-16(19-14)21-5-3-20(4-6-21)15(22)12-2-1-7-23-12/h1-2,7-9H,3-6H2
InChIKeyGBVHENDUCYMPKO-UHFFFAOYSA-N
XLogP3.13
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
(4-(4-Methoxybenzo[d]thiazol-2-yl)piperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 7539374
[4-(4,6-Difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 7539642
N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 2111813
N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
CID 2414029
N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide
CID 2445991
N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2385407
N-(4-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032587

Frequently Asked Questions

What is the IUPAC name of [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 7292657) is [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1.
What is the InChIKey of [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is GBVHENDUCYMPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c17-10-8-11(18)14-13(9-10)24-16(19-14)21-5-3-20(4-6-21)15(22)12-2-1-7-23-12/h1-2,7-9H,3-6H2.
What are the key properties of [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 349.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7292657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).