N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide

C16H22F3N3O3S — CID 51128879

IUPACN-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)CC(O)(c2nc(C)cs2)C(F)(F)F)CCCCC1
InChIInChI=1S/C16H22F3N3O3S/c1-10-9-26-13(21-10)15(25,16(17,18)19)8-11(23)22-14(12(24)20-2)6-4-3-5-7-14/h9,25H,3-8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyREXWOUWCZNNIIU-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.16
Rot. Bonds5

About N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide

N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide (PubChem CID 51128879) has the molecular formula C16H22F3N3O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide
PubChem CID51128879
Molecular FormulaC16H22F3N3O3S
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC NameN-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)CC(O)(c2nc(C)cs2)C(F)(F)F)CCCCC1
InChIInChI=1S/C16H22F3N3O3S/c1-10-9-26-13(21-10)15(25,16(17,18)19)8-11(23)22-14(12(24)20-2)6-4-3-5-7-14/h9,25H,3-8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyREXWOUWCZNNIIU-UHFFFAOYSA-N
XLogP2.16
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide (CID 51128879) is N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide is CNC(=O)C1(NC(=O)CC(O)(c2nc(C)cs2)C(F)(F)F)CCCCC1.
What is the InChIKey of N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide?
The InChIKey is REXWOUWCZNNIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S/c1-10-9-26-13(21-10)15(25,16(17,18)19)8-11(23)22-14(12(24)20-2)6-4-3-5-7-14/h9,25H,3-8H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide?
N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 51128879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).