(1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide

C14H19F3N2OS — CID 164636949

IUPAC(1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
SMILESCC1(C)CCC[C@H](C(=O)NCc2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C14H19F3N2OS/c1-13(2)5-3-4-9(6-13)12(20)18-7-11-19-10(8-21-11)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,20)/t9-/m0/s1
InChIKeyFGZRTZAWFAUUCS-VIFPVBQESA-N
MW320.38 g/mol
LogP3.99
Rot. Bonds3

About (1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide

(1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 164636949) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is (1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
PubChem CID164636949
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name(1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
SMILESCC1(C)CCC[C@H](C(=O)NCc2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C14H19F3N2OS/c1-13(2)5-3-4-9(6-13)12(20)18-7-11-19-10(8-21-11)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,20)/t9-/m0/s1
InChIKeyFGZRTZAWFAUUCS-VIFPVBQESA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of (1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide (CID 164636949) is (1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide is CC1(C)CCC[C@H](C(=O)NCc2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of (1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is FGZRTZAWFAUUCS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-13(2)5-3-4-9(6-13)12(20)18-7-11-19-10(8-21-11)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,20)/t9-/m0/s1.
What are the key properties of (1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide?
(1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 164636949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).