N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C6H6F3N3S — CID 114449677

IUPACN-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3N3S/c1-2-3-10-5-12-11-4(13-5)6(7,8)9/h2H,1,3H2,(H,10,12)
InChIKeyZNIUNHOOLHEVLS-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.15
Rot. Bonds3

About N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449677) has the molecular formula C6H6F3N3S and a molecular weight of 209.20 g/mol. Its IUPAC name is N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449677
Molecular FormulaC6H6F3N3S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC NameN-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3N3S/c1-2-3-10-5-12-11-4(13-5)6(7,8)9/h2H,1,3H2,(H,10,12)
InChIKeyZNIUNHOOLHEVLS-UHFFFAOYSA-N
XLogP2.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 407391
1-Prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 13229753
N-ethyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 13229757
N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545013
N-(3-methylbut-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 103525278
N-(2-prop-2-enylsulfanylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924085
N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448402
N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448565
N-(2-chloroprop-2-enyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448583
5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 114448667
N-(4,4,4-trifluorobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448675
N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448679

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449677) is N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is C=CCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZNIUNHOOLHEVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3S/c1-2-3-10-5-12-11-4(13-5)6(7,8)9/h2H,1,3H2,(H,10,12).
What are the key properties of N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 209.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).