1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane

C23H27F3N2OS — CID 163440450

IUPAC1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane
SMILESC.CC1=C(C2CCCCC2)c2ccc(C(=O)NCc3cnc(C(F)(F)F)s3)cc2C1
InChIInChI=1S/C22H23F3N2OS.CH4/c1-13-9-16-10-15(7-8-18(16)19(13)14-5-3-2-4-6-14)20(28)26-11-17-12-27-21(29-17)22(23,24)25;/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,26,28);1H4
InChIKeyAYCBMTFXHOOFIO-UHFFFAOYSA-N
MW436.54 g/mol
LogP6.64
Rot. Bonds4

About 1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane

1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane (PubChem CID 163440450) has the molecular formula C23H27F3N2OS and a molecular weight of 436.54 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane
PubChem CID163440450
Molecular FormulaC23H27F3N2OS
Molecular Weight436.54 g/mol
Exact Mass436.18
IUPAC Name1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane
SMILESC.CC1=C(C2CCCCC2)c2ccc(C(=O)NCc3cnc(C(F)(F)F)s3)cc2C1
InChIInChI=1S/C22H23F3N2OS.CH4/c1-13-9-16-10-15(7-8-18(16)19(13)14-5-3-2-4-6-14)20(28)26-11-17-12-27-21(29-17)22(23,24)25;/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,26,28);1H4
InChIKeyAYCBMTFXHOOFIO-UHFFFAOYSA-N
XLogP6.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane?
The IUPAC name of 1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane (CID 163440450) is 1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane.
What is the SMILES notation for 1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane?
The canonical SMILES for 1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane is C.CC1=C(C2CCCCC2)c2ccc(C(=O)NCc3cnc(C(F)(F)F)s3)cc2C1.
What is the InChIKey of 1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane?
The InChIKey is AYCBMTFXHOOFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2OS.CH4/c1-13-9-16-10-15(7-8-18(16)19(13)14-5-3-2-4-6-14)20(28)26-11-17-12-27-21(29-17)22(23,24)25;/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,26,28);1H4.
What are the key properties of 1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane?
1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane has a molecular weight of 436.54 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide;methane is sourced from PubChem (CID 163440450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).