N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide

C15H8Cl2N4OS2 — CID 108728681

IUPACN-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2scc(-c3ccc(Cl)cc3Cl)n2n1)c1cccs1
InChIInChI=1S/C15H8Cl2N4OS2/c16-8-3-4-9(10(17)6-8)11-7-24-15-19-14(20-21(11)15)18-13(22)12-2-1-5-23-12/h1-7H,(H,18,20,22)
InChIKeyUBLZYUNVMBQESK-UHFFFAOYSA-N
MW395.30 g/mol
LogP5.08
Rot. Bonds3

About N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide

N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide (PubChem CID 108728681) has the molecular formula C15H8Cl2N4OS2 and a molecular weight of 395.30 g/mol. Its IUPAC name is N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide
PubChem CID108728681
Molecular FormulaC15H8Cl2N4OS2
Molecular Weight395.30 g/mol
Exact Mass393.95
IUPAC NameN-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2scc(-c3ccc(Cl)cc3Cl)n2n1)c1cccs1
InChIInChI=1S/C15H8Cl2N4OS2/c16-8-3-4-9(10(17)6-8)11-7-24-15-19-14(20-21(11)15)18-13(22)12-2-1-5-23-12/h1-7H,(H,18,20,22)
InChIKeyUBLZYUNVMBQESK-UHFFFAOYSA-N
XLogP5.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.30
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
CID 108780706
(E)-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]but-2-enamide
CID 108752442
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butanamide
CID 108728630
3-bromo-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728672
[4-[[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]phenyl] acetate
CID 108728567
2-chloro-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-nitrobenzamide
CID 108728603
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108728583
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108728639
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]-4-phenylbenzamide
CID 108764838
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-naphthalen-2-yloxybutanamide
CID 108752526
2,5-dichloro-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108727944

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide (CID 108728681) is N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nc2scc(-c3ccc(Cl)cc3Cl)n2n1)c1cccs1.
What is the InChIKey of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide?
The InChIKey is UBLZYUNVMBQESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4OS2/c16-8-3-4-9(10(17)6-8)11-7-24-15-19-14(20-21(11)15)18-13(22)12-2-1-5-23-12/h1-7H,(H,18,20,22).
What are the key properties of N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide?
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide has a molecular weight of 395.30 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 108728681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).