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

C10H15F3N4S — CID 107305346

IUPACN-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C(F)(F)F)ns1)C1CCNC1
InChIInChI=1S/C10H15F3N4S/c1-2-5-17(7-3-4-14-6-7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyCACRWSUZNZJIST-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.14
Rot. Bonds4

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

N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305346) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305346
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C(F)(F)F)ns1)C1CCNC1
InChIInChI=1S/C10H15F3N4S/c1-2-5-17(7-3-4-14-6-7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyCACRWSUZNZJIST-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305346) is N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCCN(c1nc(C(F)(F)F)ns1)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CACRWSUZNZJIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-2-5-17(7-3-4-14-6-7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 280.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).