N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide

C19H10ClFN2O3S — CID 58477332

IUPACN-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc2c(=O)cc(-c3cccc(F)c3Cl)oc12)c1cscn1
InChIInChI=1S/C19H10ClFN2O3S/c20-17-11(4-1-5-12(17)21)16-7-15(24)10-3-2-6-13(18(10)26-16)23-19(25)14-8-27-9-22-14/h1-9H,(H,23,25)
InChIKeyCONJIMSXZCJAPY-UHFFFAOYSA-N
MW400.82 g/mol
LogP4.96
Rot. Bonds3

About N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide

N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide (PubChem CID 58477332) has the molecular formula C19H10ClFN2O3S and a molecular weight of 400.82 g/mol. Its IUPAC name is N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide
PubChem CID58477332
Molecular FormulaC19H10ClFN2O3S
Molecular Weight400.82 g/mol
Exact Mass400.01
IUPAC NameN-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc2c(=O)cc(-c3cccc(F)c3Cl)oc12)c1cscn1
InChIInChI=1S/C19H10ClFN2O3S/c20-17-11(4-1-5-12(17)21)16-7-15(24)10-3-2-6-13(18(10)26-16)23-19(25)14-8-27-9-22-14/h1-9H,(H,23,25)
InChIKeyCONJIMSXZCJAPY-UHFFFAOYSA-N
XLogP4.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide (CID 58477332) is N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cccc2c(=O)cc(-c3cccc(F)c3Cl)oc12)c1cscn1.
What is the InChIKey of N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CONJIMSXZCJAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFN2O3S/c20-17-11(4-1-5-12(17)21)16-7-15(24)10-3-2-6-13(18(10)26-16)23-19(25)14-8-27-9-22-14/h1-9H,(H,23,25).
What are the key properties of N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide?
N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 400.82 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-3-fluorophenyl)-4-oxochromen-8-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58477332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).