N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H13F3N2O2S — CID 113339810

IUPACN-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(CC(=O)N(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-7-14-8(5-18-7)4-9(17)15(2-3-16)6-10(11,12)13/h5,16H,2-4,6H2,1H3
InChIKeyVNTZBBDYGZSRQH-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.38
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113339810) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113339810
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(CC(=O)N(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-7-14-8(5-18-7)4-9(17)15(2-3-16)6-10(11,12)13/h5,16H,2-4,6H2,1H3
InChIKeyVNTZBBDYGZSRQH-UHFFFAOYSA-N
XLogP1.38
TPSA53.43 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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 113339810) is N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(CC(=O)N(CCO)CC(F)(F)F)cs1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VNTZBBDYGZSRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-7-14-8(5-18-7)4-9(17)15(2-3-16)6-10(11,12)13/h5,16H,2-4,6H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113339810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).