N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide

C12H17F3N4O2S — CID 71990543

IUPACN,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide
SMILESCC(NC(=O)NCCc1nc(C(F)(F)F)cs1)C(=O)N(C)C
InChIInChI=1S/C12H17F3N4O2S/c1-7(10(20)19(2)3)17-11(21)16-5-4-9-18-8(6-22-9)12(13,14)15/h6-7H,4-5H2,1-3H3,(H2,16,17,21)
InChIKeyLLQYTBWKHGHUHD-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.48
Rot. Bonds5

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

N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide (PubChem CID 71990543) has the molecular formula C12H17F3N4O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide
PubChem CID71990543
Molecular FormulaC12H17F3N4O2S
Molecular Weight338.36 g/mol
Exact Mass338.10
IUPAC NameN,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide
SMILESCC(NC(=O)NCCc1nc(C(F)(F)F)cs1)C(=O)N(C)C
InChIInChI=1S/C12H17F3N4O2S/c1-7(10(20)19(2)3)17-11(21)16-5-4-9-18-8(6-22-9)12(13,14)15/h6-7H,4-5H2,1-3H3,(H2,16,17,21)
InChIKeyLLQYTBWKHGHUHD-UHFFFAOYSA-N
XLogP1.48
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide (CID 71990543) is N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide is CC(NC(=O)NCCc1nc(C(F)(F)F)cs1)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide?
The InChIKey is LLQYTBWKHGHUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2S/c1-7(10(20)19(2)3)17-11(21)16-5-4-9-18-8(6-22-9)12(13,14)15/h6-7H,4-5H2,1-3H3,(H2,16,17,21).
What are the key properties of N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide?
N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide has a molecular weight of 338.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanamide is sourced from PubChem (CID 71990543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).