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

C19H21F3N2O2S — CID 55517576

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESCc1nc(COc2cccc(C(=O)NC3CCCC(C(F)(F)F)C3)c2)cs1
InChIInChI=1S/C19H21F3N2O2S/c1-12-23-16(11-27-12)10-26-17-7-2-4-13(8-17)18(25)24-15-6-3-5-14(9-15)19(20,21)22/h2,4,7-8,11,14-15H,3,5-6,9-10H2,1H3,(H,24,25)
InChIKeyYEMMHFHSXOIKBD-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.88
Rot. Bonds5

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

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 55517576) has the molecular formula C19H21F3N2O2S and a molecular weight of 398.45 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID55517576
Molecular FormulaC19H21F3N2O2S
Molecular Weight398.45 g/mol
Exact Mass398.13
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESCc1nc(COc2cccc(C(=O)NC3CCCC(C(F)(F)F)C3)c2)cs1
InChIInChI=1S/C19H21F3N2O2S/c1-12-23-16(11-27-12)10-26-17-7-2-4-13(8-17)18(25)24-15-6-3-5-14(9-15)19(20,21)22/h2,4,7-8,11,14-15H,3,5-6,9-10H2,1H3,(H,24,25)
InChIKeyYEMMHFHSXOIKBD-UHFFFAOYSA-N
XLogP4.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55533835
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119458129
N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119477541
N-(1-acetylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46657248
N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 119611426
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119570933
N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 51266645
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 60568928
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16571914
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34803674

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide (CID 55517576) is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide is Cc1nc(COc2cccc(C(=O)NC3CCCC(C(F)(F)F)C3)c2)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is YEMMHFHSXOIKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2S/c1-12-23-16(11-27-12)10-26-17-7-2-4-13(8-17)18(25)24-15-6-3-5-14(9-15)19(20,21)22/h2,4,7-8,11,14-15H,3,5-6,9-10H2,1H3,(H,24,25).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 398.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 55517576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).