5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine

C10H6Cl2N6OS — CID 65452154

IUPAC5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESCOc1nc(Cl)nc(Nc2c(Cl)ccc3nsnc23)n1
InChIInChI=1S/C10H6Cl2N6OS/c1-19-10-15-8(12)14-9(16-10)13-6-4(11)2-3-5-7(6)18-20-17-5/h2-3H,1H3,(H,13,14,15,16)
InChIKeyLEEIZHPLHJMJMM-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.94
Rot. Bonds3

About 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine

5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65452154) has the molecular formula C10H6Cl2N6OS and a molecular weight of 329.17 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65452154
Molecular FormulaC10H6Cl2N6OS
Molecular Weight329.17 g/mol
Exact Mass327.97
IUPAC Name5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine
SMILESCOc1nc(Cl)nc(Nc2c(Cl)ccc3nsnc23)n1
InChIInChI=1S/C10H6Cl2N6OS/c1-19-10-15-8(12)14-9(16-10)13-6-4(11)2-3-5-7(6)18-20-17-5/h2-3H,1H3,(H,13,14,15,16)
InChIKeyLEEIZHPLHJMJMM-UHFFFAOYSA-N
XLogP2.94
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine with MolForge

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Related Compounds

5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 65451949
5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine
CID 65474285
2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine
CID 102286750
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82819504
3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine
CID 102758727
acetic acid;5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
CID 46243780
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol
CID 59860984
5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine
CID 116785194
5-chloro-N-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine
CID 65475497
4-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrimidine-2,4-diamine
CID 80843558
5-chloro-N-prop-2-ynyl-2,1,3-benzothiadiazol-4-amine
CID 65473847

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine (CID 65452154) is 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine is COc1nc(Cl)nc(Nc2c(Cl)ccc3nsnc23)n1.
What is the InChIKey of 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is LEEIZHPLHJMJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N6OS/c1-19-10-15-8(12)14-9(16-10)13-6-4(11)2-3-5-7(6)18-20-17-5/h2-3H,1H3,(H,13,14,15,16).
What are the key properties of 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine?
5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 329.17 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65452154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).