N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide

C23H18F2N2O2S — CID 11487076

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
SMILESCC1(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC2C(=O)CC1c1ccccc12
InChIInChI=1S/C23H18F2N2O2S/c1-23(10-15-13-4-2-3-5-14(13)16(23)9-20(15)28)21(29)27-22-26-19(11-30-22)12-6-7-17(24)18(25)8-12/h2-8,11,15-16H,9-10H2,1H3,(H,26,27,29)
InChIKeyCFEVRKYJRSDXLZ-UHFFFAOYSA-N
MW424.47 g/mol
LogP5.28
Rot. Bonds3

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide (PubChem CID 11487076) has the molecular formula C23H18F2N2O2S and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
PubChem CID11487076
Molecular FormulaC23H18F2N2O2S
Molecular Weight424.47 g/mol
Exact Mass424.11
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
SMILESCC1(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC2C(=O)CC1c1ccccc12
InChIInChI=1S/C23H18F2N2O2S/c1-23(10-15-13-4-2-3-5-14(13)16(23)9-20(15)28)21(29)27-22-26-19(11-30-22)12-6-7-17(24)18(25)8-12/h2-8,11,15-16H,9-10H2,1H3,(H,26,27,29)
InChIKeyCFEVRKYJRSDXLZ-UHFFFAOYSA-N
XLogP5.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide with MolForge

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Related Compounds

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
9-methyl-N-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide
CID 11259523
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
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596185
N-[4-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596115
N-[4-[3-[(2,5-dichlorophenyl)carbamoyl]phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596077
15-methyl-N-[4-[3-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596103
N-[4-[3-(cyclopentylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596062
N-[4-[3-(benzylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596107
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
(5R,7R)-3-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 98277662
N-[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596200

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide (CID 11487076) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide is CC1(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC2C(=O)CC1c1ccccc12.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
The InChIKey is CFEVRKYJRSDXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O2S/c1-23(10-15-13-4-2-3-5-14(13)16(23)9-20(15)28)21(29)27-22-26-19(11-30-22)12-6-7-17(24)18(25)8-12/h2-8,11,15-16H,9-10H2,1H3,(H,26,27,29).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-9-methyl-11-oxotricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9-carboxamide is sourced from PubChem (CID 11487076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).