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

C12H18F3N3OS — CID 56788601

IUPACN-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)CN(CC(=O)N(C)c1nccs1)CC(F)(F)F
InChIInChI=1S/C12H18F3N3OS/c1-9(2)6-18(8-12(13,14)15)7-10(19)17(3)11-16-4-5-20-11/h4-5,9H,6-8H2,1-3H3
InChIKeyRJPUJFKSFILMLI-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.63
Rot. Bonds6

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

N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 56788601) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID56788601
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC NameN-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)CN(CC(=O)N(C)c1nccs1)CC(F)(F)F
InChIInChI=1S/C12H18F3N3OS/c1-9(2)6-18(8-12(13,14)15)7-10(19)17(3)11-16-4-5-20-11/h4-5,9H,6-8H2,1-3H3
InChIKeyRJPUJFKSFILMLI-UHFFFAOYSA-N
XLogP2.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide (CID 56788601) is N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide is CC(C)CN(CC(=O)N(C)c1nccs1)CC(F)(F)F.
What is the InChIKey of N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RJPUJFKSFILMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c1-9(2)6-18(8-12(13,14)15)7-10(19)17(3)11-16-4-5-20-11/h4-5,9H,6-8H2,1-3H3.
What are the key properties of N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 309.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 56788601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).