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

C21H19FN4O2S — CID 108728260

IUPACN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2nc3scc(-c4ccc(F)cc4)n3n2)cc1
InChIInChI=1S/C21H19FN4O2S/c1-13(2)11-28-17-9-5-15(6-10-17)19(27)23-20-24-21-26(25-20)18(12-29-21)14-3-7-16(22)8-4-14/h3-10,12-13H,11H2,1-2H3,(H,23,25,27)
InChIKeyOICFRJPYRXBSHC-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.88
Rot. Bonds6

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

N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide (PubChem CID 108728260) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide
PubChem CID108728260
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC NameN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2nc3scc(-c4ccc(F)cc4)n3n2)cc1
InChIInChI=1S/C21H19FN4O2S/c1-13(2)11-28-17-9-5-15(6-10-17)19(27)23-20-24-21-26(25-20)18(12-29-21)14-3-7-16(22)8-4-14/h3-10,12-13H,11H2,1-2H3,(H,23,25,27)
InChIKeyOICFRJPYRXBSHC-UHFFFAOYSA-N
XLogP4.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 3581200
2-(4-Fluorophenyl)-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}acetamide
CID 7243428
3-Bromo-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}benzamide
CID 16021623
3-acetyl-N-(2-(2-(4-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)benzenesulfonamide
CID 16032122
2-Fluoro-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-benzamide
CID 746909
2-(4-ethoxyphenyl)-N-(2-(2-(2-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)acetamide
CID 16028733
4-Butoxy-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}benzamide
CID 16032755
2-(4-Ethoxyphenyl)-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}acetamide
CID 16032791
1-(4-Methoxy-phenyl)-2-{4-methyl-5-[(4-phenyl-thiazol-2-ylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-ethanone
CID 650211
N-{2-[2-(4-Methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}-2-methylbenzamide
CID 7287072
3,4,5-triethoxy-N-(2-(2-(2-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)benzamide
CID 16028735

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide (CID 108728260) is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)Nc2nc3scc(-c4ccc(F)cc4)n3n2)cc1.
What is the InChIKey of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide?
The InChIKey is OICFRJPYRXBSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-13(2)11-28-17-9-5-15(6-10-17)19(27)23-20-24-21-26(25-20)18(12-29-21)14-3-7-16(22)8-4-14/h3-10,12-13H,11H2,1-2H3,(H,23,25,27).
What are the key properties of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide?
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide has a molecular weight of 410.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 108728260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).