9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide

C23H22N2O2S — CID 71174759

IUPAC9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
SMILESCC1(C(=O)NC2=NC(c3ccccc3)CS2)CC2C(=O)CC1c1ccccc12
InChIInChI=1S/C23H22N2O2S/c1-23(12-17-15-9-5-6-10-16(15)18(23)11-20(17)26)21(27)25-22-24-19(13-28-22)14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3,(H,24,25,27)
InChIKeyPISIRIPUAFWAFY-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.20
Rot. Bonds2

About 9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide

9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide (PubChem CID 71174759) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide.

Molecular Properties

Compound Name9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
PubChem CID71174759
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
SMILESCC1(C(=O)NC2=NC(c3ccccc3)CS2)CC2C(=O)CC1c1ccccc12
InChIInChI=1S/C23H22N2O2S/c1-23(12-17-15-9-5-6-10-16(15)18(23)11-20(17)26)21(27)25-22-24-19(13-28-22)14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3,(H,24,25,27)
InChIKeyPISIRIPUAFWAFY-UHFFFAOYSA-N
XLogP4.20
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide with MolForge

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Related Compounds

9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxylic acid
CID 58930780
9-methyl-11-oxo-N-(4-phenyl-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide;9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxylic acid
CID 162284456
ethyl 2-[2-[(15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl)amino]-4,5-dihydro-1,3-thiazol-4-yl]-2-oxoacetate
CID 71168337
N-[4-(4-fluoronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-yl]-15-methyl-10-oxo-9,11,12-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,12-tetraene-15-carboxamide
CID 70966465
N-(1-methylcyclopentyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 64688029
N-cyclopropyl-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63183229
15-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596040
4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide
CID 63183072
N-(2,6-dimethylphenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182912
2-phenylsulfanyl-N-(4-pyridin-4-yl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 70887812
15-methyl-N-(6-methyl-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596312
(15R)-N-(4-chlorophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1101014

Frequently Asked Questions

What is the IUPAC name of 9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The IUPAC name of 9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide (CID 71174759) is 9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide.
What is the SMILES notation for 9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The canonical SMILES for 9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide is CC1(C(=O)NC2=NC(c3ccccc3)CS2)CC2C(=O)CC1c1ccccc12.
What is the InChIKey of 9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The InChIKey is PISIRIPUAFWAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-23(12-17-15-9-5-6-10-16(15)18(23)11-20(17)26)21(27)25-22-24-19(13-28-22)14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3,(H,24,25,27).
What are the key properties of 9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-11-oxo-N-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide is sourced from PubChem (CID 71174759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).