N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C11H16F3N5O2S2 — CID 48915052

IUPACN-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C11H16F3N5O2S2/c1-10(2,3)17-7(21)16-6(20)4-22-9-19-18-8(23-9)15-5-11(12,13)14/h4-5H2,1-3H3,(H,15,18)(H2,16,17,20,21)
InChIKeyGEVUWJZBAFYCEU-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.23
Rot. Bonds5

About N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 48915052) has the molecular formula C11H16F3N5O2S2 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID48915052
Molecular FormulaC11H16F3N5O2S2
Molecular Weight371.41 g/mol
Exact Mass371.07
IUPAC NameN-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1nnc(NCC(F)(F)F)s1
InChIInChI=1S/C11H16F3N5O2S2/c1-10(2,3)17-7(21)16-6(20)4-22-9-19-18-8(23-9)15-5-11(12,13)14/h4-5H2,1-3H3,(H,15,18)(H2,16,17,20,21)
InChIKeyGEVUWJZBAFYCEU-UHFFFAOYSA-N
XLogP2.23
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 48915052) is N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC(C)(C)NC(=O)NC(=O)CSc1nnc(NCC(F)(F)F)s1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is GEVUWJZBAFYCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2S2/c1-10(2,3)17-7(21)16-6(20)4-22-9-19-18-8(23-9)15-5-11(12,13)14/h4-5H2,1-3H3,(H,15,18)(H2,16,17,20,21).
What are the key properties of N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 371.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 48915052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).