N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4O2S — CID 103915595

IUPACN-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)n1cnnc1SCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H17F3N4O2S/c1-8(2)18-7-15-16-10(18)21-5-9(20)17(3-4-19)6-11(12,13)14/h7-8,19H,3-6H2,1-2H3
InChIKeyKCMTXNUSIRETJX-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.33
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103915595) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103915595
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC NameN-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)n1cnnc1SCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H17F3N4O2S/c1-8(2)18-7-15-16-10(18)21-5-9(20)17(3-4-19)6-11(12,13)14/h7-8,19H,3-6H2,1-2H3
InChIKeyKCMTXNUSIRETJX-UHFFFAOYSA-N
XLogP1.33
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 45792874
2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 87018068
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726132
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726320
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103769789
N-(3,3-difluoro-2-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 103770373
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915488
N-(2,2-difluoro-3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 104857462
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857968
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483080
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 107483200
N-(2-methoxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352425

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 103915595) is N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)n1cnnc1SCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KCMTXNUSIRETJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-8(2)18-7-15-16-10(18)21-5-9(20)17(3-4-19)6-11(12,13)14/h7-8,19H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 326.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103915595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).