N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide

C11H16F3N3OS — CID 75521390

IUPACN,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide
SMILESCCC(NCC(=O)N(C)C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H16F3N3OS/c1-4-7(15-5-9(18)17(2)3)10-16-8(6-19-10)11(12,13)14/h6-7,15H,4-5H2,1-3H3
InChIKeyYXDKXWLWXAFOEW-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.29
Rot. Bonds5

About N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide

N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide (PubChem CID 75521390) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide
PubChem CID75521390
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC NameN,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide
SMILESCCC(NCC(=O)N(C)C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H16F3N3OS/c1-4-7(15-5-9(18)17(2)3)10-16-8(6-19-10)11(12,13)14/h6-7,15H,4-5H2,1-3H3
InChIKeyYXDKXWLWXAFOEW-UHFFFAOYSA-N
XLogP2.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide?
The IUPAC name of N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide (CID 75521390) is N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide is CCC(NCC(=O)N(C)C)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide?
The InChIKey is YXDKXWLWXAFOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-4-7(15-5-9(18)17(2)3)10-16-8(6-19-10)11(12,13)14/h6-7,15H,4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide?
N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide has a molecular weight of 295.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]acetamide is sourced from PubChem (CID 75521390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).