7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide

C21H18N2O4S — CID 139217078

IUPAC7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3nc(-c4ccccc4)cs3)c(=O)oc2C1
InChIInChI=1S/C21H18N2O4S/c1-21(2)9-16(24)13-8-14(19(26)27-17(13)10-21)18(25)23-20-22-15(11-28-20)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,22,23,25)
InChIKeyNWJFDLCUNGTXJN-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.17
Rot. Bonds3

About 7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide

7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide (PubChem CID 139217078) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is 7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide
PubChem CID139217078
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3nc(-c4ccccc4)cs3)c(=O)oc2C1
InChIInChI=1S/C21H18N2O4S/c1-21(2)9-16(24)13-8-14(19(26)27-17(13)10-21)18(25)23-20-22-15(11-28-20)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,22,23,25)
InChIKeyNWJFDLCUNGTXJN-UHFFFAOYSA-N
XLogP4.17
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide with MolForge

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Related Compounds

3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide
CID 3953765
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56562122
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56564971
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56565236
2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41154127
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930773
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
1-methyl-6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-4,5-dihydropyridazine-3-carboxamide
CID 4884176
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-carboxamide
CID 108797869

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide?
The IUPAC name of 7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide (CID 139217078) is 7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3nc(-c4ccccc4)cs3)c(=O)oc2C1.
What is the InChIKey of 7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide?
The InChIKey is NWJFDLCUNGTXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-21(2)9-16(24)13-8-14(19(26)27-17(13)10-21)18(25)23-20-22-15(11-28-20)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,22,23,25).
What are the key properties of 7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide?
7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide is sourced from PubChem (CID 139217078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).