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

C15H12F3N7S — CID 66716893

IUPAC5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCCn1cc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)cn1
InChIInChI=1S/C15H12F3N7S/c1-2-24-7-9(5-22-24)13-23-25-11(6-21-14(25)26-13)8-3-10(15(16,17)18)12(19)20-4-8/h3-7H,2H2,1H3,(H2,19,20)
InChIKeyKZGFUDRECRXYET-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.34
Rot. Bonds3

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

5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 66716893) has the molecular formula C15H12F3N7S and a molecular weight of 379.37 g/mol. Its IUPAC name is 5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID66716893
Molecular FormulaC15H12F3N7S
Molecular Weight379.37 g/mol
Exact Mass379.08
IUPAC Name5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCCn1cc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)cn1
InChIInChI=1S/C15H12F3N7S/c1-2-24-7-9(5-22-24)13-23-25-11(6-21-14(25)26-13)8-3-10(15(16,17)18)12(19)20-4-8/h3-7H,2H2,1H3,(H2,19,20)
InChIKeyKZGFUDRECRXYET-UHFFFAOYSA-N
XLogP3.34
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 66716893) is 5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine is CCn1cc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)cn1.
What is the InChIKey of 5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KZGFUDRECRXYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N7S/c1-2-24-7-9(5-22-24)13-23-25-11(6-21-14(25)26-13)8-3-10(15(16,17)18)12(19)20-4-8/h3-7H,2H2,1H3,(H2,19,20).
What are the key properties of 5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 379.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-ethylpyrazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66716893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).