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

C7H10F3N3S — CID 114448013

IUPACN-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S/c1-3-4(2)11-6-13-12-5(14-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,13)
InChIKeyFGZFOSUXOKPCOP-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.77
Rot. Bonds3

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

N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448013) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448013
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC NameN-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S/c1-3-4(2)11-6-13-12-5(14-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,13)
InChIKeyFGZFOSUXOKPCOP-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.77
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
1,3,4-Thiadiazol-2-amine, 5-trifluoromethyl-N-(1,1-dimethylethyl)-
CID 545453
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
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764
N-(3-methylpentyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 89630345
ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 167491391

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448013) is N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCC(C)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FGZFOSUXOKPCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-3-4(2)11-6-13-12-5(14-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,13).
What are the key properties of N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 225.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).