N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C13H20F3N3OS — CID 56788600

IUPACN-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nc(CN(CC(C)C)CC(F)(F)F)cs1
InChIInChI=1S/C13H20F3N3OS/c1-9(2)5-19(8-13(14,15)16)6-11-7-21-12(17-11)18(4)10(3)20/h7,9H,5-6,8H2,1-4H3
InChIKeyCQWRRNOBMCOECK-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.15
Rot. Bonds6

About N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 56788600) has the molecular formula C13H20F3N3OS and a molecular weight of 323.38 g/mol. Its IUPAC name is N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID56788600
Molecular FormulaC13H20F3N3OS
Molecular Weight323.38 g/mol
Exact Mass323.13
IUPAC NameN-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nc(CN(CC(C)C)CC(F)(F)F)cs1
InChIInChI=1S/C13H20F3N3OS/c1-9(2)5-19(8-13(14,15)16)6-11-7-21-12(17-11)18(4)10(3)20/h7,9H,5-6,8H2,1-4H3
InChIKeyCQWRRNOBMCOECK-UHFFFAOYSA-N
XLogP3.15
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 56788600) is N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(C)c1nc(CN(CC(C)C)CC(F)(F)F)cs1.
What is the InChIKey of N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CQWRRNOBMCOECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3OS/c1-9(2)5-19(8-13(14,15)16)6-11-7-21-12(17-11)18(4)10(3)20/h7,9H,5-6,8H2,1-4H3.
What are the key properties of N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 323.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56788600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).