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

C8H10F3N3S — CID 114448200

IUPACN-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C(F)(F)F)s1)C1CC1
InChIInChI=1S/C8H10F3N3S/c1-4(5-2-3-5)12-7-14-13-6(15-7)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeyGXPGHLCHKJFJED-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.77
Rot. Bonds3

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

N-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448200) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448200
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC NameN-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C(F)(F)F)s1)C1CC1
InChIInChI=1S/C8H10F3N3S/c1-4(5-2-3-5)12-7-14-13-6(15-7)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeyGXPGHLCHKJFJED-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448200) is N-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(Nc1nnc(C(F)(F)F)s1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GXPGHLCHKJFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c1-4(5-2-3-5)12-7-14-13-6(15-7)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14).
What are the key properties of N-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 237.25 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-(1-cyclopropylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).