N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C8H12F3N3S — CID 114448182

IUPACN-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCC(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3S/c1-3-4-5(2)12-7-14-13-6(15-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyVCYRUGCIZFCQSJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.16
Rot. Bonds4

About N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448182) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448182
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC NameN-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCC(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3S/c1-3-4-5(2)12-7-14-13-6(15-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)
InChIKeyVCYRUGCIZFCQSJ-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-N-(propan-2-yl)-1,3,4-thiadiazol-2-amine
CID 544670
N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 676548
2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 86800409
N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 13229757
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 20567422
N-hexyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21544995
N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545013
N-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545056
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
CID 59230097
Methyl-piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323568
Piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323569
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448182) is N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCCC(C)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VCYRUGCIZFCQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-3-4-5(2)12-7-14-13-6(15-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 239.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).