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

C11H15F3N2O2S2 — CID 103915411

IUPACN-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(CSCC(=O)N(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2O2S2/c1-8-15-9(5-20-8)4-19-6-10(18)16(2-3-17)7-11(12,13)14/h5,17H,2-4,6-7H2,1H3
InChIKeyRUWGZGDESLHOFY-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.07
Rot. Bonds7

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

N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103915411) has the molecular formula C11H15F3N2O2S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103915411
Molecular FormulaC11H15F3N2O2S2
Molecular Weight328.38 g/mol
Exact Mass328.05
IUPAC NameN-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(CSCC(=O)N(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2O2S2/c1-8-15-9(5-20-8)4-19-6-10(18)16(2-3-17)7-11(12,13)14/h5,17H,2-4,6-7H2,1H3
InChIKeyRUWGZGDESLHOFY-UHFFFAOYSA-N
XLogP2.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 103915411) is N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(CSCC(=O)N(CCO)CC(F)(F)F)cs1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RUWGZGDESLHOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S2/c1-8-15-9(5-20-8)4-19-6-10(18)16(2-3-17)7-11(12,13)14/h5,17H,2-4,6-7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 328.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103915411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).