(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide

C9H12F3N3O2S2 — CID 38899434

IUPAC(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCSc1nnc(NC(=O)[C@@H](C)OCC(F)(F)F)s1
InChIInChI=1S/C9H12F3N3O2S2/c1-3-18-8-15-14-7(19-8)13-6(16)5(2)17-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,16)/t5-/m1/s1
InChIKeyHCHXSLYGYSIUMZ-RXMQYKEDSA-N
MW315.34 g/mol
LogP2.56
Rot. Bonds6

About (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 38899434) has the molecular formula C9H12F3N3O2S2 and a molecular weight of 315.34 g/mol. Its IUPAC name is (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID38899434
Molecular FormulaC9H12F3N3O2S2
Molecular Weight315.34 g/mol
Exact Mass315.03
IUPAC Name(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCSc1nnc(NC(=O)[C@@H](C)OCC(F)(F)F)s1
InChIInChI=1S/C9H12F3N3O2S2/c1-3-18-8-15-14-7(19-8)13-6(16)5(2)17-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,16)/t5-/m1/s1
InChIKeyHCHXSLYGYSIUMZ-RXMQYKEDSA-N
XLogP2.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 71672657
(2R)-2-acetamido-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 40880830
2-acetamido-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
CID 17423121
2-(4-bromophenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 78525105
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
CID 658691
(2R)-2-(2,4-dichlorophenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7858558
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 5097188
(2S)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9397243
3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,1-dimethylurea
CID 154417531
(2S)-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 7263166
4-tert-butyl-N-[1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3993230
(2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38950816

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 38899434) is (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide is CCSc1nnc(NC(=O)[C@@H](C)OCC(F)(F)F)s1.
What is the InChIKey of (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is HCHXSLYGYSIUMZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12F3N3O2S2/c1-3-18-8-15-14-7(19-8)13-6(16)5(2)17-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,14,16)/t5-/m1/s1.
What are the key properties of (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 315.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 38899434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).