N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide

C23H15FN4O3S — CID 39859518

IUPACN-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(=O)c3ccccc3o2)n1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H15FN4O3S/c1-13-25-11-21(27-22(30)20-10-18(29)16-4-2-3-5-19(16)31-20)28(13)23-26-17(12-32-23)14-6-8-15(24)9-7-14/h2-12H,1H3,(H,27,30)
InChIKeyKEIAVSRUZDAELO-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.80
Rot. Bonds4

About N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide

N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide (PubChem CID 39859518) has the molecular formula C23H15FN4O3S and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide
PubChem CID39859518
Molecular FormulaC23H15FN4O3S
Molecular Weight446.46 g/mol
Exact Mass446.08
IUPAC NameN-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(=O)c3ccccc3o2)n1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H15FN4O3S/c1-13-25-11-21(27-22(30)20-10-18(29)16-4-2-3-5-19(16)31-20)28(13)23-26-17(12-32-23)14-6-8-15(24)9-7-14/h2-12H,1H3,(H,27,30)
InChIKeyKEIAVSRUZDAELO-UHFFFAOYSA-N
XLogP4.80
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 25282094
5-bromo-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]furan-2-carboxamide
CID 39859829
4-bromo-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide
CID 51700910
2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide
CID 39859814
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785
3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide
CID 39859752
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide
CID 51700906
N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide
CID 56725641
N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide
CID 17460362
2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide
CID 39742220
N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
CID 121078514

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide (CID 39859518) is N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide is Cc1ncc(NC(=O)c2cc(=O)c3ccccc3o2)n1-c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide?
The InChIKey is KEIAVSRUZDAELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O3S/c1-13-25-11-21(27-22(30)20-10-18(29)16-4-2-3-5-19(16)31-20)28(13)23-26-17(12-32-23)14-6-8-15(24)9-7-14/h2-12H,1H3,(H,27,30).
What are the key properties of N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide?
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 39859518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).