N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide

C24H20N2O4S — CID 19204660

IUPACN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
SMILESCc1sc(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)nc1-c1ccccc1
InChIInChI=1S/C24H20N2O4S/c1-14-22(15-6-3-2-4-7-15)26-24(31-14)25-21(27)13-29-16-10-11-18-17-8-5-9-19(17)23(28)30-20(18)12-16/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,25,26,27)
InChIKeyKUYJNOKQZVSCCM-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.73
Rot. Bonds5

About N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide (PubChem CID 19204660) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
PubChem CID19204660
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
SMILESCc1sc(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)nc1-c1ccccc1
InChIInChI=1S/C24H20N2O4S/c1-14-22(15-6-3-2-4-7-15)26-24(31-14)25-21(27)13-29-16-10-11-18-17-8-5-9-19(17)23(28)30-20(18)12-16/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,25,26,27)
InChIKeyKUYJNOKQZVSCCM-UHFFFAOYSA-N
XLogP4.73
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.73
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-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 19204661
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7915185
N-(5-fluoro-2-methylphenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7774634
2-(3-ethylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19178906
N-(4-chlorophenyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7740212
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 7983182
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 6235822
methyl 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetate
CID 2055069
7-[2-(4-methylphenyl)-2-oxoethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 777549
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196756

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
The IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide (CID 19204660) is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide.
What is the SMILES notation for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
The canonical SMILES for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide is Cc1sc(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)nc1-c1ccccc1.
What is the InChIKey of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
The InChIKey is KUYJNOKQZVSCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-14-22(15-6-3-2-4-7-15)26-24(31-14)25-21(27)13-29-16-10-11-18-17-8-5-9-19(17)23(28)30-20(18)12-16/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,25,26,27).
What are the key properties of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide?
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide has a molecular weight of 432.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide is sourced from PubChem (CID 19204660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).