2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

C9H13F3N4OS2 — CID 2501577

IUPAC2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)Nc1nnc(SCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N4OS2/c1-5(2)14-7-15-16-8(19-7)18-3-6(17)13-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyWJMCCRCBRYCJHE-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.13
Rot. Bonds6

About 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2501577) has the molecular formula C9H13F3N4OS2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2501577
Molecular FormulaC9H13F3N4OS2
Molecular Weight314.36 g/mol
Exact Mass314.05
IUPAC Name2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)Nc1nnc(SCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N4OS2/c1-5(2)14-7-15-16-8(19-7)18-3-6(17)13-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyWJMCCRCBRYCJHE-UHFFFAOYSA-N
XLogP2.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

2-(5-Acetylamino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-cyclopropyl-acetamide
CID 1462703
N-[1-(5-Ethylsulfanyl-[1,3,4]thiadiazol-2-ylamino)-2,2,2-trifluoro-1-trifluoromethyl-ethyl]-acetamide
CID 1888413
2-{[(5Z)-5-(acetylimino)-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-butylacetamide
CID 1863801
N-cyclopropyl-N-[5-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 8783346
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-isopropyl-acetamide
CID 8633017
1-[5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
CID 1375895
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2472147
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8674648
2-[[5-(2,2,2-Trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 47086617
2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7797343
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8228901
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8331223

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 2501577) is 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)Nc1nnc(SCC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WJMCCRCBRYCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS2/c1-5(2)14-7-15-16-8(19-7)18-3-6(17)13-4-9(10,11)12/h5H,3-4H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 314.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2501577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).