2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide

C18H11BrCl2N4OS — CID 108742448

IUPAC2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1
InChIInChI=1S/C18H11BrCl2N4OS/c19-11-3-1-10(2-4-11)7-16(26)22-17-23-18-25(24-17)15(9-27-18)13-8-12(20)5-6-14(13)21/h1-6,8-9H,7H2,(H,22,24,26)
InChIKeyXIDRJLHMNAGMAR-UHFFFAOYSA-N
MW482.19 g/mol
LogP5.71
Rot. Bonds4

About 2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide

2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide (PubChem CID 108742448) has the molecular formula C18H11BrCl2N4OS and a molecular weight of 482.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
PubChem CID108742448
Molecular FormulaC18H11BrCl2N4OS
Molecular Weight482.19 g/mol
Exact Mass479.92
IUPAC Name2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1
InChIInChI=1S/C18H11BrCl2N4OS/c19-11-3-1-10(2-4-11)7-16(26)22-17-23-18-25(24-17)15(9-27-18)13-8-12(20)5-6-14(13)21/h1-6,8-9H,7H2,(H,22,24,26)
InChIKeyXIDRJLHMNAGMAR-UHFFFAOYSA-N
XLogP5.71
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.19
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide
CID 108742357
2-chloro-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108742412
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108742421
3-bromo-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728672
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 108764912
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butanamide
CID 108728630
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide
CID 108764838
4-chloro-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-nitrobenzamide
CID 108742466
2-(2,4-dichlorophenoxy)-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108752522
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764859
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108728583
(E)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 108764870

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide (CID 108742448) is 2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1.
What is the InChIKey of 2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The InChIKey is XIDRJLHMNAGMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrCl2N4OS/c19-11-3-1-10(2-4-11)7-16(26)22-17-23-18-25(24-17)15(9-27-18)13-8-12(20)5-6-14(13)21/h1-6,8-9H,7H2,(H,22,24,26).
What are the key properties of 2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide has a molecular weight of 482.19 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide is sourced from PubChem (CID 108742448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).