2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol

C17H11Cl2N5OS — CID 68563128

IUPAC2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol
SMILESOc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1
InChIInChI=1S/C17H11Cl2N5OS/c18-10-2-1-3-11(19)16(10)13-7-21-24-17(23-13)20-8-15-22-12-6-9(25)4-5-14(12)26-15/h1-7,25H,8H2,(H,20,23,24)
InChIKeyFLACKHMGVCDFNG-UHFFFAOYSA-N
MW404.28 g/mol
LogP4.77
Rot. Bonds4

About 2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol

2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol (PubChem CID 68563128) has the molecular formula C17H11Cl2N5OS and a molecular weight of 404.28 g/mol. Its IUPAC name is 2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol.

Molecular Properties

Compound Name2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol
PubChem CID68563128
Molecular FormulaC17H11Cl2N5OS
Molecular Weight404.28 g/mol
Exact Mass403.01
IUPAC Name2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol
SMILESOc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1
InChIInChI=1S/C17H11Cl2N5OS/c18-10-2-1-3-11(19)16(10)13-7-21-24-17(23-13)20-8-15-22-12-6-9(25)4-5-14(12)26-15/h1-7,25H,8H2,(H,20,23,24)
InChIKeyFLACKHMGVCDFNG-UHFFFAOYSA-N
XLogP4.77
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{[2-({[5-(2,6-Dichlorophenyl)-1,2,4-Triazin-3-Yl]amino}methyl)-1,3-Benzothiazol-5-Yl]oxy}acetic Acid
CID 68610299
2-[[2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]-N-hydroxyacetamide
CID 71583372
2-[[2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]-N-(2-hydroxyethyl)acetamide
CID 44548474
5-(2,6-dichlorophenyl)-N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 44609583
2-[[2-[[[5-(2,6-Dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]ethanol
CID 44609584
2-[[2-[[[5-(2,6-Dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]acetamide
CID 44609736
5-[2-chloro-5-(1H-pyrazol-5-yl)phenyl]-N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 44610040
5-(2-chloro-5-pyridin-3-ylphenyl)-N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 44610042
N-[[5-(2-aminoethoxy)-1,3-benzothiazol-2-yl]methyl]-5-(2,6-dichlorophenyl)-1,2,4-triazin-3-amine
CID 68563276
N-[2-[[2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]ethyl]-2-hydroxyacetamide
CID 68563722
2-amino-N-[2-[[2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]ethyl]acetamide
CID 68563778
5-(5-bromo-2-chlorophenyl)-N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 68564714

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol?
The IUPAC name of 2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol (CID 68563128) is 2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol.
What is the SMILES notation for 2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol?
The canonical SMILES for 2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol is Oc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1.
What is the InChIKey of 2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol?
The InChIKey is FLACKHMGVCDFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5OS/c18-10-2-1-3-11(19)16(10)13-7-21-24-17(23-13)20-8-15-22-12-6-9(25)4-5-14(12)26-15/h1-7,25H,8H2,(H,20,23,24).
What are the key properties of 2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol?
2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol has a molecular weight of 404.28 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-ol is sourced from PubChem (CID 68563128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).