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

C20H14F4N4OS — CID 20965885

IUPACN-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F4N4OS/c21-16-7-2-1-6-15(16)17-26-19-28(27-17)14(11-30-19)8-9-25-18(29)12-4-3-5-13(10-12)20(22,23)24/h1-7,10-11H,8-9H2,(H,25,29)
InChIKeyUKQLDCVDEPSFHB-UHFFFAOYSA-N
MW434.42 g/mol
LogP4.59
Rot. Bonds5

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

N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 20965885) has the molecular formula C20H14F4N4OS and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID20965885
Molecular FormulaC20H14F4N4OS
Molecular Weight434.42 g/mol
Exact Mass434.08
IUPAC NameN-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F4N4OS/c21-16-7-2-1-6-15(16)17-26-19-28(27-17)14(11-30-19)8-9-25-18(29)12-4-3-5-13(10-12)20(22,23)24/h1-7,10-11H,8-9H2,(H,25,29)
InChIKeyUKQLDCVDEPSFHB-UHFFFAOYSA-N
XLogP4.59
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
CID 7531042
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-methoxyacetamide
CID 7531010
5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 44976706
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclopentanecarboxamide
CID 7530989
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7530978
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(2-methylphenyl)oxamide
CID 20965931
3-fluoro-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7530838
N'-(1,3-benzodioxol-5-yl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 20965935
2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid
CID 98020595
3,4-difluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216139
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
3-methyl-N-[2-(2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7552633

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide (CID 20965885) is N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UKQLDCVDEPSFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4OS/c21-16-7-2-1-6-15(16)17-26-19-28(27-17)14(11-30-19)8-9-25-18(29)12-4-3-5-13(10-12)20(22,23)24/h1-7,10-11H,8-9H2,(H,25,29).
What are the key properties of N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 434.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 20965885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).