5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine

C16H11F3N6S — CID 46941130

IUPAC5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)cn1
InChIInChI=1S/C16H11F3N6S/c1-8-2-3-9(5-21-8)14-24-25-12(7-23-15(25)26-14)10-4-11(16(17,18)19)13(20)22-6-10/h2-7H,1H3,(H2,20,22)
InChIKeyIPSDTCAVEMBNQA-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.82
Rot. Bonds2

About 5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 46941130) has the molecular formula C16H11F3N6S and a molecular weight of 376.37 g/mol. Its IUPAC name is 5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID46941130
Molecular FormulaC16H11F3N6S
Molecular Weight376.37 g/mol
Exact Mass376.07
IUPAC Name5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)cn1
InChIInChI=1S/C16H11F3N6S/c1-8-2-3-9(5-21-8)14-24-25-12(7-23-15(25)26-14)10-4-11(16(17,18)19)13(20)22-6-10/h2-7H,1H3,(H2,20,22)
InChIKeyIPSDTCAVEMBNQA-UHFFFAOYSA-N
XLogP3.82
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 46941130) is 5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine is Cc1ccc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)cn1.
What is the InChIKey of 5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IPSDTCAVEMBNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6S/c1-8-2-3-9(5-21-8)14-24-25-12(7-23-15(25)26-14)10-4-11(16(17,18)19)13(20)22-6-10/h2-7H,1H3,(H2,20,22).
What are the key properties of 5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 376.37 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-methyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 46941130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).