2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide

C21H17N4OS+ — CID 5049525

IUPAC2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc[nH+]c1)c1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H16N4OS/c26-20(23-17-12-7-13-22-14-17)19-18(15-8-3-1-4-9-15)25-21(27-19)24-16-10-5-2-6-11-16/h1-14H,(H,23,26)(H,24,25)/p+1
InChIKeyDKLQPJVTAQCXQU-UHFFFAOYSA-O
MW373.46 g/mol
LogP4.62
Rot. Bonds5

About 2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide

2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 5049525) has the molecular formula C21H17N4OS+ and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide
PubChem CID5049525
Molecular FormulaC21H17N4OS+
Molecular Weight373.46 g/mol
Exact Mass373.11
IUPAC Name2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc[nH+]c1)c1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H16N4OS/c26-20(23-17-12-7-13-22-14-17)19-18(15-8-3-1-4-9-15)25-21(27-19)24-16-10-5-2-6-11-16/h1-14H,(H,23,26)(H,24,25)/p+1
InChIKeyDKLQPJVTAQCXQU-UHFFFAOYSA-O
XLogP4.62
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 2360763
1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 58242807
2-anilino-N-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 3919463
N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 9074270
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091
3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 39194623
phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
CID 12568925
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17473227
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide (CID 5049525) is 2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc[nH+]c1)c1sc(Nc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DKLQPJVTAQCXQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H16N4OS/c26-20(23-17-12-7-13-22-14-17)19-18(15-8-3-1-4-9-15)25-21(27-19)24-16-10-5-2-6-11-16/h1-14H,(H,23,26)(H,24,25)/p+1.
What are the key properties of 2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide?
2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 5049525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).