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

C10H13F3N2O2S — CID 51943799

IUPAC(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1csc(CNC(=O)[C@@H](C)OCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2S/c1-6-4-18-8(15-6)3-14-9(16)7(2)17-5-10(11,12)13/h4,7H,3,5H2,1-2H3,(H,14,16)/t7-/m1/s1
InChIKeyVQQMHBLSZQCISS-SSDOTTSWSA-N
MW282.29 g/mol
LogP2.04
Rot. Bonds5

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

(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 51943799) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID51943799
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1csc(CNC(=O)[C@@H](C)OCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2S/c1-6-4-18-8(15-6)3-14-9(16)7(2)17-5-10(11,12)13/h4,7H,3,5H2,1-2H3,(H,14,16)/t7-/m1/s1
InChIKeyVQQMHBLSZQCISS-SSDOTTSWSA-N
XLogP2.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 51943799) is (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is Cc1csc(CNC(=O)[C@@H](C)OCC(F)(F)F)n1.
What is the InChIKey of (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is VQQMHBLSZQCISS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-6-4-18-8(15-6)3-14-9(16)7(2)17-5-10(11,12)13/h4,7H,3,5H2,1-2H3,(H,14,16)/t7-/m1/s1.
What are the key properties of (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 282.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 51943799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).