(5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C20H22FN3O2S — CID 56947219

IUPAC(5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)o1
InChIInChI=1S/C20H22FN3O2S/c1-20(2,3)17-7-6-15(26-17)18(25)23-8-10-24(11-9-23)19-22-14-5-4-13(21)12-16(14)27-19/h4-7,12H,8-11H2,1-3H3
InChIKeyOKHXOXXRGNNCCC-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.29
Rot. Bonds2

About (5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

(5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 56947219) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is (5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID56947219
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC Name(5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)o1
InChIInChI=1S/C20H22FN3O2S/c1-20(2,3)17-7-6-15(26-17)18(25)23-8-10-24(11-9-23)19-22-14-5-4-13(21)12-16(14)27-19/h4-7,12H,8-11H2,1-3H3
InChIKeyOKHXOXXRGNNCCC-UHFFFAOYSA-N
XLogP4.29
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 157251546
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539111
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 7539120
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539121
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43982987
(2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 16952865
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 7539147
[3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 121083155
(6-chloropyrazin-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 56947198
(5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982259
(2,4-dichlorophenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539124
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16941609

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 56947219) is (5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)o1.
What is the InChIKey of (5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is OKHXOXXRGNNCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-20(2,3)17-7-6-15(26-17)18(25)23-8-10-24(11-9-23)19-22-14-5-4-13(21)12-16(14)27-19/h4-7,12H,8-11H2,1-3H3.
What are the key properties of (5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
(5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 387.48 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56947219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).