2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide

C23H17N5O2S2 — CID 4652334

IUPAC2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(C(=O)Nc4nc5ccc(C)cc5s4)nc3)sc2c1
InChIInChI=1S/C23H17N5O2S2/c1-12-3-6-15-18(9-12)31-22(25-15)27-20(29)14-5-8-17(24-11-14)21(30)28-23-26-16-7-4-13(2)10-19(16)32-23/h3-11H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyWLJMYRXCVMKCQM-UHFFFAOYSA-N
MW459.56 g/mol
LogP5.42
Rot. Bonds4

About 2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide

2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide (PubChem CID 4652334) has the molecular formula C23H17N5O2S2 and a molecular weight of 459.56 g/mol. Its IUPAC name is 2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
PubChem CID4652334
Molecular FormulaC23H17N5O2S2
Molecular Weight459.56 g/mol
Exact Mass459.08
IUPAC Name2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(C(=O)Nc4nc5ccc(C)cc5s4)nc3)sc2c1
InChIInChI=1S/C23H17N5O2S2/c1-12-3-6-15-18(9-12)31-22(25-15)27-20(29)14-5-8-17(24-11-14)21(30)28-23-26-16-7-4-13(2)10-19(16)32-23/h3-11H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyWLJMYRXCVMKCQM-UHFFFAOYSA-N
XLogP5.42
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.56
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
CID 4071461
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143037
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 62151806
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434
3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 46484893
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 5182181
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 26243830

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide (CID 4652334) is 2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide is Cc1ccc2nc(NC(=O)c3ccc(C(=O)Nc4nc5ccc(C)cc5s4)nc3)sc2c1.
What is the InChIKey of 2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide?
The InChIKey is WLJMYRXCVMKCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S2/c1-12-3-6-15-18(9-12)31-22(25-15)27-20(29)14-5-8-17(24-11-14)21(30)28-23-26-16-7-4-13(2)10-19(16)32-23/h3-11H,1-2H3,(H,25,27,29)(H,26,28,30).
What are the key properties of 2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide?
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide has a molecular weight of 459.56 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 4652334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).