2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C13H20F3N3OS — CID 71986428

IUPAC2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(C(C)(C)NCC(=O)N(C)CC(F)(F)F)sc1C
InChIInChI=1S/C13H20F3N3OS/c1-8-9(2)21-11(18-8)12(3,4)17-6-10(20)19(5)7-13(14,15)16/h17H,6-7H2,1-5H3
InChIKeyXMADMYFPVHPZRL-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71986428) has the molecular formula C13H20F3N3OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71986428
Molecular FormulaC13H20F3N3OS
Molecular Weight323.38 g/mol
Exact Mass323.13
IUPAC Name2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(C(C)(C)NCC(=O)N(C)CC(F)(F)F)sc1C
InChIInChI=1S/C13H20F3N3OS/c1-8-9(2)21-11(18-8)12(3,4)17-6-10(20)19(5)7-13(14,15)16/h17H,6-7H2,1-5H3
InChIKeyXMADMYFPVHPZRL-UHFFFAOYSA-N
XLogP2.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71986428) is 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(C(C)(C)NCC(=O)N(C)CC(F)(F)F)sc1C.
What is the InChIKey of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XMADMYFPVHPZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3OS/c1-8-9(2)21-11(18-8)12(3,4)17-6-10(20)19(5)7-13(14,15)16/h17H,6-7H2,1-5H3.
What are the key properties of 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 323.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71986428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).