5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide

C25H21N5O4S — CID 134282248

IUPAC5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2cc(C=O)n(C)n2)cccc1-c1cccc(NC(=O)c2ncc(C=O)s2)c1C
InChIInChI=1S/C25H21N5O4S/c1-14-18(6-4-8-20(14)27-23(33)22-10-16(12-31)30(3)29-22)19-7-5-9-21(15(19)2)28-24(34)25-26-11-17(13-32)35-25/h4-13H,1-3H3,(H,27,33)(H,28,34)
InChIKeyFIMJGPLNCJZSRT-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.29
Rot. Bonds7

About 5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide

5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide (PubChem CID 134282248) has the molecular formula C25H21N5O4S and a molecular weight of 487.54 g/mol. Its IUPAC name is 5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
PubChem CID134282248
Molecular FormulaC25H21N5O4S
Molecular Weight487.54 g/mol
Exact Mass487.13
IUPAC Name5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2cc(C=O)n(C)n2)cccc1-c1cccc(NC(=O)c2ncc(C=O)s2)c1C
InChIInChI=1S/C25H21N5O4S/c1-14-18(6-4-8-20(14)27-23(33)22-10-16(12-31)30(3)29-22)19-7-5-9-21(15(19)2)28-24(34)25-26-11-17(13-32)35-25/h4-13H,1-3H3,(H,27,33)(H,28,34)
InChIKeyFIMJGPLNCJZSRT-UHFFFAOYSA-N
XLogP4.29
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
CID 134282246
5-formyl-N-[3-[3-[2-(5-formyl-4-methyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide
CID 158592210
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[2-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
CID 146987986
5-[(2-hydroxyethylamino)methyl]-N-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;hydrochloride
CID 139537263
N-[3-[3-[fluoro(methoxy)methyl]-2-methylphenyl]-2-methylphenyl]-5-formyl-4-methoxypyridine-2-carboxamide
CID 146301395
N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide
CID 175846923
5-ethenyl-4-methoxy-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]pyridine-2-carboxamide
CID 155393409
5-bromo-4-methoxy-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]pyridine-2-carboxamide
CID 155393492
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 167906110
N-[3-[2-chloro-3-(5-formyl-6-methoxypyrazin-2-yl)phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
CID 168812494
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
3-N,5-N-bis(2-tert-butylphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097819

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide (CID 134282248) is 5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide is Cc1c(NC(=O)c2cc(C=O)n(C)n2)cccc1-c1cccc(NC(=O)c2ncc(C=O)s2)c1C.
What is the InChIKey of 5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is FIMJGPLNCJZSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4S/c1-14-18(6-4-8-20(14)27-23(33)22-10-16(12-31)30(3)29-22)19-7-5-9-21(15(19)2)28-24(34)25-26-11-17(13-32)35-25/h4-13H,1-3H3,(H,27,33)(H,28,34).
What are the key properties of 5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134282248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).