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

C9H12F3N3S — CID 107305141

IUPACN-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CNc1nc(C(F)(F)F)ns1)C1CC1
InChIInChI=1S/C9H12F3N3S/c1-5(6-2-3-6)4-13-8-14-7(15-16-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyKUHOGDWXCAQMTN-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.01
Rot. Bonds4

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

N-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305141) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305141
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC NameN-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CNc1nc(C(F)(F)F)ns1)C1CC1
InChIInChI=1S/C9H12F3N3S/c1-5(6-2-3-6)4-13-8-14-7(15-16-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyKUHOGDWXCAQMTN-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305141) is N-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(CNc1nc(C(F)(F)F)ns1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KUHOGDWXCAQMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-5(6-2-3-6)4-13-8-14-7(15-16-8)9(10,11)12/h5-6H,2-4H2,1H3,(H,13,14,15).
What are the key properties of N-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 251.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).