2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

C20H16N6O3S2 — CID 75120103

IUPAC2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
SMILESO=C(CCc1csc(NC(=O)C2C=CC=NC2=O)n1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C20H16N6O3S2/c27-16(25-20-24-15(11-31-20)12-3-1-7-21-9-12)6-5-13-10-30-19(23-13)26-18(29)14-4-2-8-22-17(14)28/h1-4,7-11,14H,5-6H2,(H,23,26,29)(H,24,25,27)
InChIKeyZYGQKEIIJVVHKS-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.95
Rot. Bonds7

About 2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide

2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide (PubChem CID 75120103) has the molecular formula C20H16N6O3S2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
PubChem CID75120103
Molecular FormulaC20H16N6O3S2
Molecular Weight452.52 g/mol
Exact Mass452.07
IUPAC Name2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
SMILESO=C(CCc1csc(NC(=O)C2C=CC=NC2=O)n1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C20H16N6O3S2/c27-16(25-20-24-15(11-31-20)12-3-1-7-21-9-12)6-5-13-10-30-19(23-13)26-18(29)14-4-2-8-22-17(14)28/h1-4,7-11,14H,5-6H2,(H,23,26,29)(H,24,25,27)
InChIKeyZYGQKEIIJVVHKS-UHFFFAOYSA-N
XLogP2.95
TPSA126.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-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

N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74526973
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
2-oxo-N-[4-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75118812
4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
CID 110460819
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 134044736
3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 135933507
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 9361604
N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74825048
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 134044739
2-oxo-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338898

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide (CID 75120103) is 2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide is O=C(CCc1csc(NC(=O)C2C=CC=NC2=O)n1)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
The InChIKey is ZYGQKEIIJVVHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3S2/c27-16(25-20-24-15(11-31-20)12-3-1-7-21-9-12)6-5-13-10-30-19(23-13)26-18(29)14-4-2-8-22-17(14)28/h1-4,7-11,14H,5-6H2,(H,23,26,29)(H,24,25,27).
What are the key properties of 2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide?
2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-[3-oxo-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide is sourced from PubChem (CID 75120103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).