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

C15H21F3N2OS — CID 99608399

IUPAC4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)NCc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C15H21F3N2OS/c1-9(2)10-3-5-11(6-4-10)14(21)19-7-13-20-12(8-22-13)15(16,17)18/h8-11H,3-7H2,1-2H3,(H,19,21)
InChIKeyZOXWKEQLQDLNOW-UHFFFAOYSA-N
MW334.41 g/mol
LogP4.24
Rot. Bonds4

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

4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 99608399) has the molecular formula C15H21F3N2OS and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
PubChem CID99608399
Molecular FormulaC15H21F3N2OS
Molecular Weight334.41 g/mol
Exact Mass334.13
IUPAC Name4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)NCc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C15H21F3N2OS/c1-9(2)10-3-5-11(6-4-10)14(21)19-7-13-20-12(8-22-13)15(16,17)18/h8-11H,3-7H2,1-2H3,(H,19,21)
InChIKeyZOXWKEQLQDLNOW-UHFFFAOYSA-N
XLogP4.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide (CID 99608399) is 4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide is CC(C)C1CCC(C(=O)NCc2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is ZOXWKEQLQDLNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2OS/c1-9(2)10-3-5-11(6-4-10)14(21)19-7-13-20-12(8-22-13)15(16,17)18/h8-11H,3-7H2,1-2H3,(H,19,21).
What are the key properties of 4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide?
4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 99608399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).