N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide

C18H21FN4OS — CID 7287109

IUPACN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide
SMILESCc1c(CCNC(=O)C(C)(C)C)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C18H21FN4OS/c1-11-14(9-10-20-16(24)18(2,3)4)25-17-21-15(22-23(11)17)12-5-7-13(19)8-6-12/h5-8H,9-10H2,1-4H3,(H,20,24)
InChIKeyOGGVVKNPGOZZFJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.61
Rot. Bonds4

About N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 7287109) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID7287109
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide
SMILESCc1c(CCNC(=O)C(C)(C)C)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C18H21FN4OS/c1-11-14(9-10-20-16(24)18(2,3)4)25-17-21-15(22-23(11)17)12-5-7-13(19)8-6-12/h5-8H,9-10H2,1-4H3,(H,20,24)
InChIKeyOGGVVKNPGOZZFJ-UHFFFAOYSA-N
XLogP3.61
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide (CID 7287109) is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide is Cc1c(CCNC(=O)C(C)(C)C)sc2nc(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is OGGVVKNPGOZZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-11-14(9-10-20-16(24)18(2,3)4)25-17-21-15(22-23(11)17)12-5-7-13(19)8-6-12/h5-8H,9-10H2,1-4H3,(H,20,24).
What are the key properties of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 360.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 7287109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).