2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide

C13H10ClFN4OS — CID 110727017

IUPAC2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1csc2nncn12)c1c(F)cccc1Cl
InChIInChI=1S/C13H10ClFN4OS/c14-9-2-1-3-10(15)11(9)12(20)16-5-4-8-6-21-13-18-17-7-19(8)13/h1-3,6-7H,4-5H2,(H,16,20)
InChIKeyCIMXYDVAFRXSJW-UHFFFAOYSA-N
MW324.77 g/mol
LogP2.56
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide (PubChem CID 110727017) has the molecular formula C13H10ClFN4OS and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide
PubChem CID110727017
Molecular FormulaC13H10ClFN4OS
Molecular Weight324.77 g/mol
Exact Mass324.02
IUPAC Name2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1csc2nncn12)c1c(F)cccc1Cl
InChIInChI=1S/C13H10ClFN4OS/c14-9-2-1-3-10(15)11(9)12(20)16-5-4-8-6-21-13-18-17-7-19(8)13/h1-3,6-7H,4-5H2,(H,16,20)
InChIKeyCIMXYDVAFRXSJW-UHFFFAOYSA-N
XLogP2.56
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide
CID 110726992
2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide
CID 110727010
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317678
2-chloro-6-fluoro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321097
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
1-(4-fluorophenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]methanesulfonamide
CID 110727083
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537631
3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide
CID 110727031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide (CID 110727017) is 2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide is O=C(NCCc1csc2nncn12)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide?
The InChIKey is CIMXYDVAFRXSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4OS/c14-9-2-1-3-10(15)11(9)12(20)16-5-4-8-6-21-13-18-17-7-19(8)13/h1-3,6-7H,4-5H2,(H,16,20).
What are the key properties of 2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide has a molecular weight of 324.77 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110727017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).