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

C9H11F3N2OS — CID 156794408

IUPAC2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2OS/c1-5(2)8(15)13-3-7-14-6(4-16-7)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,15)
InChIKeyYUEFOULWVBVCEQ-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.43
Rot. Bonds3

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

2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide (PubChem CID 156794408) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide
PubChem CID156794408
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2OS/c1-5(2)8(15)13-3-7-14-6(4-16-7)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,15)
InChIKeyYUEFOULWVBVCEQ-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide (CID 156794408) is 2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide is CC(C)C(=O)NCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide?
The InChIKey is YUEFOULWVBVCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-5(2)8(15)13-3-7-14-6(4-16-7)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,15).
What are the key properties of 2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide?
2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide has a molecular weight of 252.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide is sourced from PubChem (CID 156794408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).