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

C17H18FN5OS — CID 16952865

IUPAC(2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)n(C)n1
InChIInChI=1S/C17H18FN5OS/c1-11-9-14(21(2)20-11)16(24)22-5-7-23(8-6-22)17-19-13-4-3-12(18)10-15(13)25-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHJKLILIAGBDJED-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.44
Rot. Bonds2

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

(2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 16952865) has the molecular formula C17H18FN5OS and a molecular weight of 359.43 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID16952865
Molecular FormulaC17H18FN5OS
Molecular Weight359.43 g/mol
Exact Mass359.12
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)n(C)n1
InChIInChI=1S/C17H18FN5OS/c1-11-9-14(21(2)20-11)16(24)22-5-7-23(8-6-22)17-19-13-4-3-12(18)10-15(13)25-17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHJKLILIAGBDJED-UHFFFAOYSA-N
XLogP2.44
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-methylthiadiazol-5-yl)methanone
CID 43982987
[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
[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
(2,4-dichlorophenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539124
(5-tert-butylfuran-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 56947219
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 43983003
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 41115411

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 16952865) is (2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is HJKLILIAGBDJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5OS/c1-11-9-14(21(2)20-11)16(24)22-5-7-23(8-6-22)17-19-13-4-3-12(18)10-15(13)25-17/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 16952865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).