(7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C18H17FN4OS — CID 139006327

IUPAC(7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2CCN(C(=O)c3cc(F)cc4nccnc34)CC2)s1
InChIInChI=1S/C18H17FN4OS/c1-11-10-22-17(25-11)12-2-6-23(7-3-12)18(24)14-8-13(19)9-15-16(14)21-5-4-20-15/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyZAGNABLNHDKVGY-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.55
Rot. Bonds2

About (7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

(7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 139006327) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is (7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID139006327
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name(7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2CCN(C(=O)c3cc(F)cc4nccnc34)CC2)s1
InChIInChI=1S/C18H17FN4OS/c1-11-10-22-17(25-11)12-2-6-23(7-3-12)18(24)14-8-13(19)9-15-16(14)21-5-4-20-15/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyZAGNABLNHDKVGY-UHFFFAOYSA-N
XLogP3.55
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561387
(4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 120819704
[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 119662738
(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119578005
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
CID 112845805
(4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 139006333
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 120809688
3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid
CID 122018345
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
CID 112844504
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
CID 112844489
[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125018357
[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 71793080

Frequently Asked Questions

What is the IUPAC name of (7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 139006327) is (7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1cnc(C2CCN(C(=O)c3cc(F)cc4nccnc34)CC2)s1.
What is the InChIKey of (7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ZAGNABLNHDKVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-11-10-22-17(25-11)12-2-6-23(7-3-12)18(24)14-8-13(19)9-15-16(14)21-5-4-20-15/h4-5,8-10,12H,2-3,6-7H2,1H3.
What are the key properties of (7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 139006327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).