N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide

C19H21FN4OS — CID 7531106

IUPACN-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)C1CCCCC1
InChIInChI=1S/C19H21FN4OS/c20-15-8-4-7-14(11-15)17-22-19-24(23-17)16(12-26-19)9-10-21-18(25)13-5-2-1-3-6-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H,21,25)
InChIKeySRBYKIOHQHGALR-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.84
Rot. Bonds5

About N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide

N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide (PubChem CID 7531106) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide
PubChem CID7531106
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC NameN-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)C1CCCCC1
InChIInChI=1S/C19H21FN4OS/c20-15-8-4-7-14(11-15)17-22-19-24(23-17)16(12-26-19)9-10-21-18(25)13-5-2-1-3-6-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H,21,25)
InChIKeySRBYKIOHQHGALR-UHFFFAOYSA-N
XLogP3.84
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide (CID 7531106) is N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide is O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)C1CCCCC1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is SRBYKIOHQHGALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c20-15-8-4-7-14(11-15)17-22-19-24(23-17)16(12-26-19)9-10-21-18(25)13-5-2-1-3-6-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H,21,25).
What are the key properties of N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide?
N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 7531106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).