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

C21H19FN4OS — CID 7287108

IUPACN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide
SMILESCc1c(CCNC(=O)Cc2ccccc2)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C21H19FN4OS/c1-14-18(11-12-23-19(27)13-15-5-3-2-4-6-15)28-21-24-20(25-26(14)21)16-7-9-17(22)10-8-16/h2-10H,11-13H2,1H3,(H,23,27)
InChIKeyLDLNNWPPGFAKPI-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.81
Rot. Bonds6

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

N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide (PubChem CID 7287108) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 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-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide
PubChem CID7287108
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide
SMILESCc1c(CCNC(=O)Cc2ccccc2)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C21H19FN4OS/c1-14-18(11-12-23-19(27)13-15-5-3-2-4-6-15)28-21-24-20(25-26(14)21)16-7-9-17(22)10-8-16/h2-10H,11-13H2,1H3,(H,23,27)
InChIKeyLDLNNWPPGFAKPI-UHFFFAOYSA-N
XLogP3.81
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.81
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-phenylacetamide?
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-phenylacetamide (CID 7287108) is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide.
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-phenylacetamide?
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-phenylacetamide is Cc1c(CCNC(=O)Cc2ccccc2)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-phenylacetamide?
The InChIKey is LDLNNWPPGFAKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c1-14-18(11-12-23-19(27)13-15-5-3-2-4-6-15)28-21-24-20(25-26(14)21)16-7-9-17(22)10-8-16/h2-10H,11-13H2,1H3,(H,23,27).
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-phenylacetamide?
N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2-phenylacetamide has a molecular weight of 394.48 g/mol, XLogP of 3.81, 6 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-phenylacetamide is sourced from PubChem (CID 7287108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).