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

C7H8F3N3S — CID 114449771

IUPACN-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C7H8F3N3S/c1-6(2-3-6)11-5-13-12-4(14-5)7(8,9)10/h2-3H2,1H3,(H,11,13)
InChIKeyGKSOAKWYUARDNG-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.52
Rot. Bonds2

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

N-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449771) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449771
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC NameN-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC1(Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C7H8F3N3S/c1-6(2-3-6)11-5-13-12-4(14-5)7(8,9)10/h2-3H2,1H3,(H,11,13)
InChIKeyGKSOAKWYUARDNG-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449771) is N-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC1(Nc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GKSOAKWYUARDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c1-6(2-3-6)11-5-13-12-4(14-5)7(8,9)10/h2-3H2,1H3,(H,11,13).
What are the key properties of N-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 223.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).