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

C29H25N5O2S2 — CID 4653670

IUPAC2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccc(C(=O)Nc4nc(-c5ccc(C)c(C)c5)cs4)n3)n2)cc1C
InChIInChI=1S/C29H25N5O2S2/c1-16-8-10-20(12-18(16)3)24-14-37-28(31-24)33-26(35)22-6-5-7-23(30-22)27(36)34-29-32-25(15-38-29)21-11-9-17(2)19(4)13-21/h5-15H,1-4H3,(H,31,33,35)(H,32,34,36)
InChIKeyCHTAXFKTMXYZNU-UHFFFAOYSA-N
MW539.69 g/mol
LogP7.07
Rot. Bonds6

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

2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide (PubChem CID 4653670) has the molecular formula C29H25N5O2S2 and a molecular weight of 539.69 g/mol. Its IUPAC name is 2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
PubChem CID4653670
Molecular FormulaC29H25N5O2S2
Molecular Weight539.69 g/mol
Exact Mass539.14
IUPAC Name2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccc(C(=O)Nc4nc(-c5ccc(C)c(C)c5)cs4)n3)n2)cc1C
InChIInChI=1S/C29H25N5O2S2/c1-16-8-10-20(12-18(16)3)24-14-37-28(31-24)33-26(35)22-6-5-7-23(30-22)27(36)34-29-32-25(15-38-29)21-11-9-17(2)19(4)13-21/h5-15H,1-4H3,(H,31,33,35)(H,32,34,36)
InChIKeyCHTAXFKTMXYZNU-UHFFFAOYSA-N
XLogP7.07
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.69
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565614
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124109
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8780732
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1194542
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 46667849

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide (CID 4653670) is 2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide is Cc1ccc(-c2csc(NC(=O)c3cccc(C(=O)Nc4nc(-c5ccc(C)c(C)c5)cs4)n3)n2)cc1C.
What is the InChIKey of 2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide?
The InChIKey is CHTAXFKTMXYZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2S2/c1-16-8-10-20(12-18(16)3)24-14-37-28(31-24)33-26(35)22-6-5-7-23(30-22)27(36)34-29-32-25(15-38-29)21-11-9-17(2)19(4)13-21/h5-15H,1-4H3,(H,31,33,35)(H,32,34,36).
What are the key properties of 2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide has a molecular weight of 539.69 g/mol, XLogP of 7.07, 6 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-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 4653670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).