2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

C9H8F3N5OS — CID 60507180

IUPAC2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C(=O)Nc1nnc(C(F)(F)F)s1)n1ccnc1
InChIInChI=1S/C9H8F3N5OS/c1-5(17-3-2-13-4-17)6(18)14-8-16-15-7(19-8)9(10,11)12/h2-5H,1H3,(H,14,16,18)
InChIKeyUUIDIXRICHHSQB-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.95
Rot. Bonds3

About 2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide

2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 60507180) has the molecular formula C9H8F3N5OS and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID60507180
Molecular FormulaC9H8F3N5OS
Molecular Weight291.26 g/mol
Exact Mass291.04
IUPAC Name2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C(=O)Nc1nnc(C(F)(F)F)s1)n1ccnc1
InChIInChI=1S/C9H8F3N5OS/c1-5(17-3-2-13-4-17)6(18)14-8-16-15-7(19-8)9(10,11)12/h2-5H,1H3,(H,14,16,18)
InChIKeyUUIDIXRICHHSQB-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 579610
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 754494
2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 53575347
2-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
CID 45230984
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylimidazole-2-carboxamide
CID 125521956
2-(1H-Imidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 557400
2-imidazol-1-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 60499745
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 71986589
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 71992774
N-(3-imidazol-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586012
N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448120
N-[2-(1-methylimidazol-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448428

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 60507180) is 2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C(=O)Nc1nnc(C(F)(F)F)s1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is UUIDIXRICHHSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5OS/c1-5(17-3-2-13-4-17)6(18)14-8-16-15-7(19-8)9(10,11)12/h2-5H,1H3,(H,14,16,18).
What are the key properties of 2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide?
2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 291.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 60507180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).