[3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C20H21FN4OS — CID 121083155

IUPAC[3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)c1
InChIInChI=1S/C20H21FN4OS/c1-23(2)16-5-3-4-14(12-16)19(26)24-8-10-25(11-9-24)20-22-17-7-6-15(21)13-18(17)27-20/h3-7,12-13H,8-11H2,1-2H3
InChIKeyBBMGTQIDAMSKGC-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.46
Rot. Bonds3

About [3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

[3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 121083155) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID121083155
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name[3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)c1
InChIInChI=1S/C20H21FN4OS/c1-23(2)16-5-3-4-14(12-16)19(26)24-8-10-25(11-9-24)20-22-17-7-6-15(21)13-18(17)27-20/h3-7,12-13H,8-11H2,1-2H3
InChIKeyBBMGTQIDAMSKGC-UHFFFAOYSA-N
XLogP3.46
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 7539120
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
(3-fluorophenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 8702667
[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]-(2-methoxyphenyl)methanone
CID 7539147
[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]-quinoxalin-2-ylmethanone
CID 43983003
(3-bromophenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 25319983
[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 7615282
(6-chloropyrazin-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 56947198

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 121083155) is [3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is BBMGTQIDAMSKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-23(2)16-5-3-4-14(12-16)19(26)24-8-10-25(11-9-24)20-22-17-7-6-15(21)13-18(17)27-20/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121083155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).