2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide

C29H25N5O6S2 — CID 3422188

IUPAC2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cccc(C(=O)Nc4nc(-c5cc(OC)ccc5OC)cs4)n3)n2)c1
InChIInChI=1S/C29H25N5O6S2/c1-37-16-8-10-24(39-3)18(12-16)22-14-41-28(31-22)33-26(35)20-6-5-7-21(30-20)27(36)34-29-32-23(15-42-29)19-13-17(38-2)9-11-25(19)40-4/h5-15H,1-4H3,(H,31,33,35)(H,32,34,36)
InChIKeyWIMFQJULJFLQJY-UHFFFAOYSA-N
MW603.68 g/mol
LogP5.87
Rot. Bonds10

About 2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide (PubChem CID 3422188) has the molecular formula C29H25N5O6S2 and a molecular weight of 603.68 g/mol. Its IUPAC name is 2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
PubChem CID3422188
Molecular FormulaC29H25N5O6S2
Molecular Weight603.68 g/mol
Exact Mass603.12
IUPAC Name2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cccc(C(=O)Nc4nc(-c5cc(OC)ccc5OC)cs4)n3)n2)c1
InChIInChI=1S/C29H25N5O6S2/c1-37-16-8-10-24(39-3)18(12-16)22-14-41-28(31-22)33-26(35)20-6-5-7-21(30-20)27(36)34-29-32-23(15-42-29)19-13-17(38-2)9-11-25(19)40-4/h5-15H,1-4H3,(H,31,33,35)(H,32,34,36)
InChIKeyWIMFQJULJFLQJY-UHFFFAOYSA-N
XLogP5.87
TPSA133.79 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500603.68
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 26242208
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 7924940
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2676581
methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 30748240
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 24608242
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
CID 2114849
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide (CID 3422188) is 2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(C(=O)Nc4nc(-c5cc(OC)ccc5OC)cs4)n3)n2)c1.
What is the InChIKey of 2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide?
The InChIKey is WIMFQJULJFLQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O6S2/c1-37-16-8-10-24(39-3)18(12-16)22-14-41-28(31-22)33-26(35)20-6-5-7-21(30-20)27(36)34-29-32-23(15-42-29)19-13-17(38-2)9-11-25(19)40-4/h5-15H,1-4H3,(H,31,33,35)(H,32,34,36).
What are the key properties of 2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide has a molecular weight of 603.68 g/mol, XLogP of 5.87, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 3422188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).