2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide

C35H25N5O2S2 — CID 4071461

IUPAC2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(-c6nc7ccc(C)cc7s6)cc5)nc4)cc3)sc2c1
InChIInChI=1S/C35H25N5O2S2/c1-20-3-14-27-30(17-20)43-34(39-27)22-5-10-25(11-6-22)37-32(41)24-9-16-29(36-19-24)33(42)38-26-12-7-23(8-13-26)35-40-28-15-4-21(2)18-31(28)44-35/h3-19H,1-2H3,(H,37,41)(H,38,42)
InChIKeyMAIKZXMQTXMPJH-UHFFFAOYSA-N
MW611.75 g/mol
LogP8.76
Rot. Bonds6

About 2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide

2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide (PubChem CID 4071461) has the molecular formula C35H25N5O2S2 and a molecular weight of 611.75 g/mol. Its IUPAC name is 2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
PubChem CID4071461
Molecular FormulaC35H25N5O2S2
Molecular Weight611.75 g/mol
Exact Mass611.14
IUPAC Name2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(-c6nc7ccc(C)cc7s6)cc5)nc4)cc3)sc2c1
InChIInChI=1S/C35H25N5O2S2/c1-20-3-14-27-30(17-20)43-34(39-27)22-5-10-25(11-6-22)37-32(41)24-9-16-29(36-19-24)33(42)38-26-12-7-23(8-13-26)35-40-28-15-4-21(2)18-31(28)44-35/h3-19H,1-2H3,(H,37,41)(H,38,42)
InChIKeyMAIKZXMQTXMPJH-UHFFFAOYSA-N
XLogP8.76
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 58.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(18F)fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 58342198
4-amino-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 58341983
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
3,4-dichloro-N-[4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]benzamide
CID 154464144
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 733388
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
5-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 2111789
4-(butanoylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 2952764
3-amino-5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 91217889
4-(tert-butylsulfonylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 20630338
3-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide
CID 2165327

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide (CID 4071461) is 2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(-c6nc7ccc(C)cc7s6)cc5)nc4)cc3)sc2c1.
What is the InChIKey of 2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide?
The InChIKey is MAIKZXMQTXMPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N5O2S2/c1-20-3-14-27-30(17-20)43-34(39-27)22-5-10-25(11-6-22)37-32(41)24-9-16-29(36-19-24)33(42)38-26-12-7-23(8-13-26)35-40-28-15-4-21(2)18-31(28)44-35/h3-19H,1-2H3,(H,37,41)(H,38,42).
What are the key properties of 2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide?
2-N,5-N-bis[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide has a molecular weight of 611.75 g/mol, XLogP of 8.76, 6 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[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 4071461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).