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

C12H18F3N3OS — CID 71986783

IUPACN-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1csc(C(C)(C)NCC(=O)N(C)CC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3OS/c1-8-6-20-10(17-8)11(2,3)16-5-9(19)18(4)7-12(13,14)15/h6,16H,5,7H2,1-4H3
InChIKeyUYKHURHIVCYPIU-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.30
Rot. Bonds5

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

N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71986783) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71986783
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC NameN-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1csc(C(C)(C)NCC(=O)N(C)CC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3OS/c1-8-6-20-10(17-8)11(2,3)16-5-9(19)18(4)7-12(13,14)15/h6,16H,5,7H2,1-4H3
InChIKeyUYKHURHIVCYPIU-UHFFFAOYSA-N
XLogP2.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 71986783) is N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1csc(C(C)(C)NCC(=O)N(C)CC(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UYKHURHIVCYPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c1-8-6-20-10(17-8)11(2,3)16-5-9(19)18(4)7-12(13,14)15/h6,16H,5,7H2,1-4H3.
What are the key properties of N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 309.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71986783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).