trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C11H15F3N2OS — CID 95571335

IUPACtrans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NC1=NCCS1)[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c12-11(13,14)8-4-2-1-3-7(8)9(17)16-10-15-5-6-18-10/h7-8H,1-6H2,(H,15,16,17)/t7-,8-/m1/s1
InChIKeyBANJZMBYTJTIOT-HTQZYQBOSA-N
MW280.31 g/mol
LogP2.57
Rot. Bonds1

About trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 95571335) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID95571335
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Nametrans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NC1=NCCS1)[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c12-11(13,14)8-4-2-1-3-7(8)9(17)16-10-15-5-6-18-10/h7-8H,1-6H2,(H,15,16,17)/t7-,8-/m1/s1
InChIKeyBANJZMBYTJTIOT-HTQZYQBOSA-N
XLogP2.57
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51959189
trans-(1S,2S)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51959187
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115624423
N-(2,6-difluoro-3-pyridinyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097944
N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113224088
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622450
N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47244785
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55790008
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107845636
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583698

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 95571335) is trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NC1=NCCS1)[C@@H]1CCCC[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BANJZMBYTJTIOT-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c12-11(13,14)8-4-2-1-3-7(8)9(17)16-10-15-5-6-18-10/h7-8H,1-6H2,(H,15,16,17)/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 95571335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).