2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C27H19FN2O4S — CID 108810423

IUPAC2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4sc(-c5ccc(F)cc5)nc4C)cc3)cc(=O)c2c1
InChIInChI=1S/C27H19FN2O4S/c1-15-25(35-27(29-15)17-3-7-18(28)8-4-17)26(32)30-19-9-5-16(6-10-19)24-14-22(31)21-13-20(33-2)11-12-23(21)34-24/h3-14H,1-2H3,(H,30,32)
InChIKeyJFEKTKLWYDKXLT-UHFFFAOYSA-N
MW486.52 g/mol
LogP6.29
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 108810423) has the molecular formula C27H19FN2O4S and a molecular weight of 486.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID108810423
Molecular FormulaC27H19FN2O4S
Molecular Weight486.52 g/mol
Exact Mass486.10
IUPAC Name2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)c4sc(-c5ccc(F)cc5)nc4C)cc3)cc(=O)c2c1
InChIInChI=1S/C27H19FN2O4S/c1-15-25(35-27(29-15)17-3-7-18(28)8-4-17)26(32)30-19-9-5-16(6-10-19)24-14-22(31)21-13-20(33-2)11-12-23(21)34-24/h3-14H,1-2H3,(H,30,32)
InChIKeyJFEKTKLWYDKXLT-UHFFFAOYSA-N
XLogP6.29
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108730692
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 108730754
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
2-(4-fluorophenyl)-N-(4-hexoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788224
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-phenoxybenzamide
CID 108730638
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-3-(4-methylphenoxy)propanamide
CID 108811249
2-(3,5-dimethylphenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108730753
2-(4-fluorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55624281
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 108810423) is 2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc2oc(-c3ccc(NC(=O)c4sc(-c5ccc(F)cc5)nc4C)cc3)cc(=O)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JFEKTKLWYDKXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O4S/c1-15-25(35-27(29-15)17-3-7-18(28)8-4-17)26(32)30-19-9-5-16(6-10-19)24-14-22(31)21-13-20(33-2)11-12-23(21)34-24/h3-14H,1-2H3,(H,30,32).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 108810423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).