N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C7H9F3N4OS — CID 115624585

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1nnc(NC(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N4OS/c1-4-13-14-6(16-4)12-5(15)2-11-3-7(8,9)10/h11H,2-3H2,1H3,(H,12,14,15)
InChIKeyRZCKJTFEMFIYEJ-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.94
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 115624585) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID115624585
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1nnc(NC(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N4OS/c1-4-13-14-6(16-4)12-5(15)2-11-3-7(8,9)10/h11H,2-3H2,1H3,(H,12,14,15)
InChIKeyRZCKJTFEMFIYEJ-UHFFFAOYSA-N
XLogP0.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260824
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium
CID 6965716
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 16574832
2-(3-ethoxypropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3229609
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 30246197
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 126477699
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4207224
4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 103156755

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 115624585) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1nnc(NC(=O)CNCC(F)(F)F)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is RZCKJTFEMFIYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c1-4-13-14-6(16-4)12-5(15)2-11-3-7(8,9)10/h11H,2-3H2,1H3,(H,12,14,15).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 254.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 115624585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).