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

C21H26F3N3OS — CID 150297817

IUPAC2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCc1csc(CN(C)CC2CCC(c3ccc(C(F)(F)F)cc3C(N)=O)CC2)n1
InChIInChI=1S/C21H26F3N3OS/c1-13-12-29-19(26-13)11-27(2)10-14-3-5-15(6-4-14)17-8-7-16(21(22,23)24)9-18(17)20(25)28/h7-9,12,14-15H,3-6,10-11H2,1-2H3,(H2,25,28)
InChIKeyGIYOBRLDILHXGU-UHFFFAOYSA-N
MW425.52 g/mol
LogP4.98
Rot. Bonds6

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

2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 150297817) has the molecular formula C21H26F3N3OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID150297817
Molecular FormulaC21H26F3N3OS
Molecular Weight425.52 g/mol
Exact Mass425.17
IUPAC Name2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCc1csc(CN(C)CC2CCC(c3ccc(C(F)(F)F)cc3C(N)=O)CC2)n1
InChIInChI=1S/C21H26F3N3OS/c1-13-12-29-19(26-13)11-27(2)10-14-3-5-15(6-4-14)17-8-7-16(21(22,23)24)9-18(17)20(25)28/h7-9,12,14-15H,3-6,10-11H2,1-2H3,(H2,25,28)
InChIKeyGIYOBRLDILHXGU-UHFFFAOYSA-N
XLogP4.98
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[4-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 174745497
2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 154733976
6-chloro-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyridazine-4-carboxamide
CID 133340499
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68608744
2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670318
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
2-[cyclopropylmethyl(ethyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63940124
2-chloro-3-[4-[[(4,5-dimethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 142787981
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate
CID 78993755
ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
CID 78993745
2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 142787879
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid
CID 154886096

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 150297817) is 2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is Cc1csc(CN(C)CC2CCC(c3ccc(C(F)(F)F)cc3C(N)=O)CC2)n1.
What is the InChIKey of 2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is GIYOBRLDILHXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3OS/c1-13-12-29-19(26-13)11-27(2)10-14-3-5-15(6-4-14)17-8-7-16(21(22,23)24)9-18(17)20(25)28/h7-9,12,14-15H,3-6,10-11H2,1-2H3,(H2,25,28).
What are the key properties of 2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 425.52 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 150297817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).