5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine

C14H14F3N7S — CID 66748745

IUPAC5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cnc3sc(N4CCC(N)C4)nn23)cc1C(F)(F)F
InChIInChI=1S/C14H14F3N7S/c15-14(16,17)9-3-7(4-20-11(9)19)10-5-21-12-24(10)22-13(25-12)23-2-1-8(18)6-23/h3-5,8H,1-2,6,18H2,(H2,19,20)
InChIKeyDWUVBRHWLRXQAE-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.99
Rot. Bonds2

About 5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 66748745) has the molecular formula C14H14F3N7S and a molecular weight of 369.38 g/mol. Its IUPAC name is 5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID66748745
Molecular FormulaC14H14F3N7S
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cnc3sc(N4CCC(N)C4)nn23)cc1C(F)(F)F
InChIInChI=1S/C14H14F3N7S/c15-14(16,17)9-3-7(4-20-11(9)19)10-5-21-12-24(10)22-13(25-12)23-2-1-8(18)6-23/h3-5,8H,1-2,6,18H2,(H2,19,20)
InChIKeyDWUVBRHWLRXQAE-UHFFFAOYSA-N
XLogP1.99
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 66748745) is 5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cnc3sc(N4CCC(N)C4)nn23)cc1C(F)(F)F.
What is the InChIKey of 5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DWUVBRHWLRXQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7S/c15-14(16,17)9-3-7(4-20-11(9)19)10-5-21-12-24(10)22-13(25-12)23-2-1-8(18)6-23/h3-5,8H,1-2,6,18H2,(H2,19,20).
What are the key properties of 5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 369.38 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-aminopyrrolidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66748745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).