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

C12H18F3N3OS — CID 71866600

IUPACN-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(C)N(C)CC(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H18F3N3OS/c1-8(2)17(3)6-11(19)18(4)5-10-16-9(7-20-10)12(13,14)15/h7-8H,5-6H2,1-4H3
InChIKeyZYJYJDGQVJIBBZ-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.46
Rot. Bonds5

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

N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 71866600) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID71866600
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC NameN-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(C)N(C)CC(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H18F3N3OS/c1-8(2)17(3)6-11(19)18(4)5-10-16-9(7-20-10)12(13,14)15/h7-8H,5-6H2,1-4H3
InChIKeyZYJYJDGQVJIBBZ-UHFFFAOYSA-N
XLogP2.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 71866600) is N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is CC(C)N(C)CC(=O)N(C)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is ZYJYJDGQVJIBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c1-8(2)17(3)6-11(19)18(4)5-10-16-9(7-20-10)12(13,14)15/h7-8H,5-6H2,1-4H3.
What are the key properties of N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 309.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 71866600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).