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

C20H17ClN4OS — CID 7243426

IUPACN-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C20H17ClN4OS/c21-16-8-6-15(7-9-16)19-23-20-25(24-19)17(13-27-20)10-11-22-18(26)12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,22,26)
InChIKeyFHTNGCCLYWKYAI-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.01
Rot. Bonds6

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

N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide (PubChem CID 7243426) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide
PubChem CID7243426
Molecular FormulaC20H17ClN4OS
Molecular Weight396.90 g/mol
Exact Mass396.08
IUPAC NameN-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C20H17ClN4OS/c21-16-8-6-15(7-9-16)19-23-20-25(24-19)17(13-27-20)10-11-22-18(26)12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,22,26)
InChIKeyFHTNGCCLYWKYAI-UHFFFAOYSA-N
XLogP4.01
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 18564680
2-(4-chlorophenyl)-N-[2-[2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564675
4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216134
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-fluorobenzamide
CID 7216168
N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 20911912
2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564691
N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide
CID 7216216
N'-(4-chlorophenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 18564694
2-(4-ethoxyphenyl)-N-[2-[2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 7244520
2-fluoro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 7216157
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(3-fluorophenyl)oxamide
CID 18564770
4-butoxy-N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 18564628

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide (CID 7243426) is N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide?
The InChIKey is FHTNGCCLYWKYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4OS/c21-16-8-6-15(7-9-16)19-23-20-25(24-19)17(13-27-20)10-11-22-18(26)12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,22,26).
What are the key properties of N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide?
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide has a molecular weight of 396.90 g/mol, XLogP of 4.01, 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-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 7243426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).