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

C12H18F3N3OS — CID 71993368

IUPAC2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCC(C)N(C)CC(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H18F3N3OS/c1-8(2)18(3)6-10(19)16-5-4-11-17-9(7-20-11)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,19)
InChIKeyYUDIHCKRUCUEPA-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.16
Rot. Bonds6

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

2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide (PubChem CID 71993368) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
PubChem CID71993368
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC Name2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCC(C)N(C)CC(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H18F3N3OS/c1-8(2)18(3)6-10(19)16-5-4-11-17-9(7-20-11)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,19)
InChIKeyYUDIHCKRUCUEPA-UHFFFAOYSA-N
XLogP2.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide (CID 71993368) is 2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide is CC(C)N(C)CC(=O)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The InChIKey is YUDIHCKRUCUEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c1-8(2)18(3)6-10(19)16-5-4-11-17-9(7-20-11)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,19).
What are the key properties of 2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide has a molecular weight of 309.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 71993368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).