2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide

C21H15FN2O4S — CID 24672163

IUPAC2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3csc(COc4ccc(F)cc4)n3)ccc12
InChIInChI=1S/C21H15FN2O4S/c1-12-8-20(25)28-18-9-14(4-7-16(12)18)23-21(26)17-11-29-19(24-17)10-27-15-5-2-13(22)3-6-15/h2-9,11H,10H2,1H3,(H,23,26)
InChIKeyNRQZHSJKABMOPZ-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.53
Rot. Bonds5

About 2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide

2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide (PubChem CID 24672163) has the molecular formula C21H15FN2O4S and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide
PubChem CID24672163
Molecular FormulaC21H15FN2O4S
Molecular Weight410.43 g/mol
Exact Mass410.07
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3csc(COc4ccc(F)cc4)n3)ccc12
InChIInChI=1S/C21H15FN2O4S/c1-12-8-20(25)28-18-9-14(4-7-16(12)18)23-21(26)17-11-29-19(24-17)10-27-15-5-2-13(22)3-6-15/h2-9,11H,10H2,1H3,(H,23,26)
InChIKeyNRQZHSJKABMOPZ-UHFFFAOYSA-N
XLogP4.53
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 167744600
2-[(4-fluorophenoxy)methyl]-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24671861
2-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24671807
N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835469
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672336
2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
2-[(4-methylphenoxy)methyl]-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24529648
2-[(4-fluorophenoxy)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24672806
N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022321
1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,2,4-triazole-3-carboxamide
CID 24509234
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide (CID 24672163) is 2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide is Cc1cc(=O)oc2cc(NC(=O)c3csc(COc4ccc(F)cc4)n3)ccc12.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NRQZHSJKABMOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O4S/c1-12-8-20(25)28-18-9-14(4-7-16(12)18)23-21(26)17-11-29-19(24-17)10-27-15-5-2-13(22)3-6-15/h2-9,11H,10H2,1H3,(H,23,26).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-N-(4-methyl-2-oxochromen-7-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24672163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).