2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide

C22H17FN2O3S — CID 16551211

IUPAC2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)s1
InChIInChI=1S/C22H17FN2O3S/c1-12-9-21(27)28-18-10-16(7-8-17(12)18)25-20(26)11-19-22(24-13(2)29-19)14-3-5-15(23)6-4-14/h3-10H,11H2,1-2H3,(H,25,26)
InChIKeyDCTIGBUTXCKGNP-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.85
Rot. Bonds4

About 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 16551211) has the molecular formula C22H17FN2O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID16551211
Molecular FormulaC22H17FN2O3S
Molecular Weight408.45 g/mol
Exact Mass408.09
IUPAC Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)s1
InChIInChI=1S/C22H17FN2O3S/c1-12-9-21(27)28-18-10-16(7-8-17(12)18)25-20(26)11-19-22(24-13(2)29-19)14-3-5-15(23)6-4-14/h3-10H,11H2,1-2H3,(H,25,26)
InChIKeyDCTIGBUTXCKGNP-UHFFFAOYSA-N
XLogP4.85
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 16551211) is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide is Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)s1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is DCTIGBUTXCKGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3S/c1-12-9-21(27)28-18-10-16(7-8-17(12)18)25-20(26)11-19-22(24-13(2)29-19)14-3-5-15(23)6-4-14/h3-10H,11H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 408.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 16551211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).