N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide

C19H17ClN4O2S — CID 55435009

IUPACN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN4O2S/c1-11(22-12(2)25)13-5-7-14(8-6-13)16-10-27-19(23-16)24-18(26)15-4-3-9-21-17(15)20/h3-11H,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyQVKAMJOQMBYRRK-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.31
Rot. Bonds5

About N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide (PubChem CID 55435009) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
PubChem CID55435009
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN4O2S/c1-11(22-12(2)25)13-5-7-14(8-6-13)16-10-27-19(23-16)24-18(26)15-4-3-9-21-17(15)20/h3-11H,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyQVKAMJOQMBYRRK-UHFFFAOYSA-N
XLogP4.31
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-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-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide
CID 55434069
2-chloro-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134041379
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 4098660
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylbenzamide
CID 55667953
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55607661
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55791811
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methoxypyridine-2-carboxamide
CID 97317188
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 42375876
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 60737127
2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 17328691
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 46668786
2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8610272

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide (CID 55435009) is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide is CC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)cc1.
What is the InChIKey of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide?
The InChIKey is QVKAMJOQMBYRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-11(22-12(2)25)13-5-7-14(8-6-13)16-10-27-19(23-16)24-18(26)15-4-3-9-21-17(15)20/h3-11H,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide?
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 55435009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).