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

C10H13F3N4S — CID 107304873

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C10H13F3N4S/c11-10(12,13)8-15-9(18-16-8)14-6-3-4-17(5-6)7-1-2-7/h6-7H,1-5H2,(H,14,15,16)
InChIKeyZQRFIJXJEWOMRT-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.21
Rot. Bonds3

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

N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304873) has the molecular formula C10H13F3N4S and a molecular weight of 278.30 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304873
Molecular FormulaC10H13F3N4S
Molecular Weight278.30 g/mol
Exact Mass278.08
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C10H13F3N4S/c11-10(12,13)8-15-9(18-16-8)14-6-3-4-17(5-6)7-1-2-7/h6-7H,1-5H2,(H,14,15,16)
InChIKeyZQRFIJXJEWOMRT-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65267507
3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271109
N-cyclopropyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964616
N'-cyclopropyl-N'-ethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105967748
2-N-cyclopropyl-2-N-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 105968559
N'-ethyl-N'-propyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105969391
N'-butan-2-yl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105970127
5-(1,4-Diazepan-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304250
N'-propan-2-yl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304462
N'-cyclopropyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304463
N'-cyclopentyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304464
3-N-methyl-3-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,3-diamine
CID 107304488

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304873) is N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NC2CCN(C3CC3)C2)n1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZQRFIJXJEWOMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4S/c11-10(12,13)8-15-9(18-16-8)14-6-3-4-17(5-6)7-1-2-7/h6-7H,1-5H2,(H,14,15,16).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 278.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).