N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine

C6H6F3N3S — CID 106214891

IUPACN-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)C1(Nc2ncns2)CC1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)5(1-2-5)12-4-10-3-11-13-4/h3H,1-2H2,(H,10,11,12)
InChIKeyABHOJRCIDJGWSP-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.04
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine

N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine (PubChem CID 106214891) has the molecular formula C6H6F3N3S and a molecular weight of 209.20 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
PubChem CID106214891
Molecular FormulaC6H6F3N3S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)C1(Nc2ncns2)CC1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)5(1-2-5)12-4-10-3-11-13-4/h3H,1-2H2,(H,10,11,12)
InChIKeyABHOJRCIDJGWSP-UHFFFAOYSA-N
XLogP2.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274380
N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854570
5-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazole-3,5-diamine
CID 106215647
N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
CID 106294323
N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 115407615
N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 115520544
N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine
CID 130708125
N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 130831786
N-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 130847209
N-(1,1,1-trifluoropropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 130848375
N-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268891
N-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65268614

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine (CID 106214891) is N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine is FC(F)(F)C1(Nc2ncns2)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ABHOJRCIDJGWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3S/c7-6(8,9)5(1-2-5)12-4-10-3-11-13-4/h3H,1-2H2,(H,10,11,12).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 209.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106214891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).