2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide

C21H9Cl4N5O2S2 — CID 43989361

IUPAC2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1nc2c(Cl)cc(Cl)cc2s1)c1cccc(C(=O)Nc2nc3c(Cl)cc(Cl)cc3s2)n1
InChIInChI=1S/C21H9Cl4N5O2S2/c22-8-4-10(24)16-14(6-8)33-20(27-16)29-18(31)12-2-1-3-13(26-12)19(32)30-21-28-17-11(25)5-9(23)7-15(17)34-21/h1-7H,(H,27,29,31)(H,28,30,32)
InChIKeyGHMDIFAWDBWARN-UHFFFAOYSA-N
MW569.28 g/mol
LogP7.42
Rot. Bonds4

About 2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide (PubChem CID 43989361) has the molecular formula C21H9Cl4N5O2S2 and a molecular weight of 569.28 g/mol. Its IUPAC name is 2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide
PubChem CID43989361
Molecular FormulaC21H9Cl4N5O2S2
Molecular Weight569.28 g/mol
Exact Mass566.90
IUPAC Name2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1nc2c(Cl)cc(Cl)cc2s1)c1cccc(C(=O)Nc2nc3c(Cl)cc(Cl)cc3s2)n1
InChIInChI=1S/C21H9Cl4N5O2S2/c22-8-4-10(24)16-14(6-8)33-20(27-16)29-18(31)12-2-1-3-13(26-12)19(32)30-21-28-17-11(25)5-9(23)7-15(17)34-21/h1-7H,(H,27,29,31)(H,28,30,32)
InChIKeyGHMDIFAWDBWARN-UHFFFAOYSA-N
XLogP7.42
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.28
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 40885043
2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 17244612
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2159265
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 42387652
4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine
CID 82549581
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43989321
3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 42387615
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989210
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 8609678
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 4085392
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide (CID 43989361) is 2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide is O=C(Nc1nc2c(Cl)cc(Cl)cc2s1)c1cccc(C(=O)Nc2nc3c(Cl)cc(Cl)cc3s2)n1.
What is the InChIKey of 2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide?
The InChIKey is GHMDIFAWDBWARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H9Cl4N5O2S2/c22-8-4-10(24)16-14(6-8)33-20(27-16)29-18(31)12-2-1-3-13(26-12)19(32)30-21-28-17-11(25)5-9(23)7-15(17)34-21/h1-7H,(H,27,29,31)(H,28,30,32).
What are the key properties of 2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide has a molecular weight of 569.28 g/mol, XLogP of 7.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 43989361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).