1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide

C22H12Cl2N4O2S2 — CID 4651435

IUPAC1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C22H12Cl2N4O2S2/c23-11-5-7-15-17(9-11)31-21(25-15)27-19(29)13-3-1-2-4-14(13)20(30)28-22-26-16-8-6-12(24)10-18(16)32-22/h1-10H,(H,25,27,29)(H,26,28,30)
InChIKeyVYFBQZMPXPQVQG-UHFFFAOYSA-N
MW499.40 g/mol
LogP6.72
Rot. Bonds4

About 1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide

1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide (PubChem CID 4651435) has the molecular formula C22H12Cl2N4O2S2 and a molecular weight of 499.40 g/mol. Its IUPAC name is 1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
PubChem CID4651435
Molecular FormulaC22H12Cl2N4O2S2
Molecular Weight499.40 g/mol
Exact Mass497.98
IUPAC Name1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C22H12Cl2N4O2S2/c23-11-5-7-15-17(9-11)31-21(25-15)27-19(29)13-3-1-2-4-14(13)20(30)28-22-26-16-8-6-12(24)10-18(16)32-22/h1-10H,(H,25,27,29)(H,26,28,30)
InChIKeyVYFBQZMPXPQVQG-UHFFFAOYSA-N
XLogP6.72
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.40
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 29277984
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 1144036
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 4181016
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927459
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide (CID 4651435) is 1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide?
The InChIKey is VYFBQZMPXPQVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2N4O2S2/c23-11-5-7-15-17(9-11)31-21(25-15)27-19(29)13-3-1-2-4-14(13)20(30)28-22-26-16-8-6-12(24)10-18(16)32-22/h1-10H,(H,25,27,29)(H,26,28,30).
What are the key properties of 1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide?
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide has a molecular weight of 499.40 g/mol, XLogP of 6.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 4651435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).