N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide

C21H23F6N3OS — CID 87645293

IUPACN-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1nc(N(C)C2CCC(CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cs1
InChIInChI=1S/C21H23F6N3OS/c1-12-29-18(11-32-12)30(2)17-5-3-13(4-6-17)10-28-19(31)14-7-15(20(22,23)24)9-16(8-14)21(25,26)27/h7-9,11,13,17H,3-6,10H2,1-2H3,(H,28,31)
InChIKeyXUTRGTFSWDCOQH-UHFFFAOYSA-N
MW479.49 g/mol
LogP5.91
Rot. Bonds5

About N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide

N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 87645293) has the molecular formula C21H23F6N3OS and a molecular weight of 479.49 g/mol. Its IUPAC name is N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID87645293
Molecular FormulaC21H23F6N3OS
Molecular Weight479.49 g/mol
Exact Mass479.15
IUPAC NameN-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1nc(N(C)C2CCC(CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cs1
InChIInChI=1S/C21H23F6N3OS/c1-12-29-18(11-32-12)30(2)17-5-3-13(4-6-17)10-28-19(31)14-7-15(20(22,23)24)9-16(8-14)21(25,26)27/h7-9,11,13,17H,3-6,10H2,1-2H3,(H,28,31)
InChIKeyXUTRGTFSWDCOQH-UHFFFAOYSA-N
XLogP5.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.49
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide with MolForge

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Related Compounds

3-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2082289
N-(1,3-thiazol-4-yl)-3-(trifluoromethyl)benzamide
CID 137648722
4-methyl-N-[2-oxo-2-[[4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 3651902
N-(4-(3-((cyclohexylmethyl)amino)-3-oxopropyl)thiazol-2-yl)-4-fluorobenzamide
CID 42208619
4-fluoro-N-methyl-N-[4-(2-oxo-1-pyridinyl)-1,3-thiazol-2-yl]benzamide
CID 16661724
N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 23296368
N-[4-[2,2-dimethylpropanoyl(methyl)amino]-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
CID 24802701
4-fluoro-N-methyl-N-[4-[methyl(2-methylpropanoyl)amino]-1,3-thiazol-2-yl]benzamide
CID 24802702
N-[4-(2,2-dimethylpropanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
CID 24805020
N-[4-(tert-butylcarbamoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
CID 24805183
N-[4-(3,3-dimethylbutanoylamino)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
CID 24805185
4-fluoro-N-methyl-N-[4-(propanoylamino)-1,3-thiazol-2-yl]benzamide
CID 24805188

Frequently Asked Questions

What is the IUPAC name of N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide (CID 87645293) is N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide is Cc1nc(N(C)C2CCC(CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cs1.
What is the InChIKey of N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is XUTRGTFSWDCOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F6N3OS/c1-12-29-18(11-32-12)30(2)17-5-3-13(4-6-17)10-28-19(31)14-7-15(20(22,23)24)9-16(8-14)21(25,26)27/h7-9,11,13,17H,3-6,10H2,1-2H3,(H,28,31).
What are the key properties of N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 479.49 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 87645293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).