N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide

C18H15ClFN3O3S2 — CID 54670496

IUPACN-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C18H15ClFN3O3S2/c1-2-14-17(28(25,26)10-11-6-7-12(19)9-13(11)20)27-18(22-14)23-16(24)15-5-3-4-8-21-15/h3-9H,2,10H2,1H3,(H,22,23,24)
InChIKeyFIZNWUPYPQNYNU-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.12
Rot. Bonds6

About N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 54670496) has the molecular formula C18H15ClFN3O3S2 and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID54670496
Molecular FormulaC18H15ClFN3O3S2
Molecular Weight439.92 g/mol
Exact Mass439.02
IUPAC NameN-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C18H15ClFN3O3S2/c1-2-14-17(28(25,26)10-11-6-7-12(19)9-13(11)20)27-18(22-14)23-16(24)15-5-3-4-8-21-15/h3-9H,2,10H2,1H3,(H,22,23,24)
InChIKeyFIZNWUPYPQNYNU-UHFFFAOYSA-N
XLogP4.12
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 54670496) is N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide is CCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is FIZNWUPYPQNYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S2/c1-2-14-17(28(25,26)10-11-6-7-12(19)9-13(11)20)27-18(22-14)23-16(24)15-5-3-4-8-21-15/h3-9H,2,10H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 439.92 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-4-ethyl-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 54670496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).