N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide

C10H12F3N3OS — CID 5190441

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)C(F)(F)F
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)8(17)14-9-16-15-7(18-9)6-4-2-1-3-5-6/h6H,1-5H2,(H,14,16,17)
InChIKeyJEZLYQCXVQJGEZ-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.09
Rot. Bonds2

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 5190441) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID5190441
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)C(F)(F)F
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)8(17)14-9-16-15-7(18-9)6-4-2-1-3-5-6/h6H,1-5H2,(H,14,16,17)
InChIKeyJEZLYQCXVQJGEZ-UHFFFAOYSA-N
XLogP3.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 90163335
3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 55696045
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2932957
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 2932354
(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 769207
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 39891630
N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123932745
4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 19205259
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 1035124
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
CID 35524324

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide (CID 5190441) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide is O=C(Nc1nnc(C2CCCCC2)s1)C(F)(F)F.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is JEZLYQCXVQJGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)8(17)14-9-16-15-7(18-9)6-4-2-1-3-5-6/h6H,1-5H2,(H,14,16,17).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 279.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 5190441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).