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

C15H14FN5OS2 — CID 43982987

IUPAC[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C15H14FN5OS2/c1-9-13(24-19-18-9)14(22)20-4-6-21(7-5-20)15-17-11-3-2-10(16)8-12(11)23-15/h2-3,8H,4-7H2,1H3
InChIKeyHCANQTDHTFWSPY-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.56
Rot. Bonds2

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

[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 43982987) has the molecular formula C15H14FN5OS2 and a molecular weight of 363.44 g/mol. Its IUPAC name is [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID43982987
Molecular FormulaC15H14FN5OS2
Molecular Weight363.44 g/mol
Exact Mass363.06
IUPAC Name[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C15H14FN5OS2/c1-9-13(24-19-18-9)14(22)20-4-6-21(7-5-20)15-17-11-3-2-10(16)8-12(11)23-15/h2-3,8H,4-7H2,1H3
InChIKeyHCANQTDHTFWSPY-UHFFFAOYSA-N
XLogP2.56
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121083127
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]-(4-methoxyphenyl)methanone
CID 7539121
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 7539120
(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
(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

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 43982987) is [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is HCANQTDHTFWSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5OS2/c1-9-13(24-19-18-9)14(22)20-4-6-21(7-5-20)15-17-11-3-2-10(16)8-12(11)23-15/h2-3,8H,4-7H2,1H3.
What are the key properties of [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 363.44 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 43982987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).