N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C11H17F3N4S — CID 114449688

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(CNc1nnc(C(F)(F)F)s1)CN1CCCC1
InChIInChI=1S/C11H17F3N4S/c1-8(7-18-4-2-3-5-18)6-15-10-17-16-9(19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeySORFAZIEQAHALE-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.70
Rot. Bonds5

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449688) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449688
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(CNc1nnc(C(F)(F)F)s1)CN1CCCC1
InChIInChI=1S/C11H17F3N4S/c1-8(7-18-4-2-3-5-18)6-15-10-17-16-9(19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeySORFAZIEQAHALE-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449688) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(CNc1nnc(C(F)(F)F)s1)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SORFAZIEQAHALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-8(7-18-4-2-3-5-18)6-15-10-17-16-9(19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,17).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 294.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).