N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide

C14H20F3N3O3S — CID 47805011

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NCC(=O)NC(C)(C)C)C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O3S/c1-8-7-24-11(19-8)13(23,14(15,16)17)5-9(21)18-6-10(22)20-12(2,3)4/h7,23H,5-6H2,1-4H3,(H,18,21)(H,20,22)
InChIKeyUBIXAJBJJVEAQB-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.62
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide

N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 47805011) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID47805011
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(C(O)(CC(=O)NCC(=O)NC(C)(C)C)C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O3S/c1-8-7-24-11(19-8)13(23,14(15,16)17)5-9(21)18-6-10(22)20-12(2,3)4/h7,23H,5-6H2,1-4H3,(H,18,21)(H,20,22)
InChIKeyUBIXAJBJJVEAQB-UHFFFAOYSA-N
XLogP1.62
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 47805011) is N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc(C(O)(CC(=O)NCC(=O)NC(C)(C)C)C(F)(F)F)n1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is UBIXAJBJJVEAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c1-8-7-24-11(19-8)13(23,14(15,16)17)5-9(21)18-6-10(22)20-12(2,3)4/h7,23H,5-6H2,1-4H3,(H,18,21)(H,20,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 367.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 47805011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).