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

C11H15F3N2OS — CID 95571334

IUPACcis-(1R,2S)-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-SFYZADRCSA-N
MW280.31 g/mol
LogP2.57
Rot. Bonds1

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

cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 95571334) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID95571334
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Namecis-(1R,2S)-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-SFYZADRCSA-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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 95571334) is cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-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 cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BANJZMBYTJTIOT-SFYZADRCSA-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 cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
cis-(1R,2S)-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 cis-(1R,2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 95571334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).