N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H12F3N5OS — CID 67222014

IUPACN-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFC(F)(F)Oc1cccc(-c2cn3nc(NCc4cccnc4)sc3n2)c1
InChIInChI=1S/C17H12F3N5OS/c18-17(19,20)26-13-5-1-4-12(7-13)14-10-25-16(23-14)27-15(24-25)22-9-11-3-2-6-21-8-11/h1-8,10H,9H2,(H,22,24)
InChIKeyLHACCFLNGJXESC-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.36
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67222014) has the molecular formula C17H12F3N5OS and a molecular weight of 391.38 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67222014
Molecular FormulaC17H12F3N5OS
Molecular Weight391.38 g/mol
Exact Mass391.07
IUPAC NameN-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFC(F)(F)Oc1cccc(-c2cn3nc(NCc4cccnc4)sc3n2)c1
InChIInChI=1S/C17H12F3N5OS/c18-17(19,20)26-13-5-1-4-12(7-13)14-10-25-16(23-14)27-15(24-25)22-9-11-3-2-6-21-8-11/h1-8,10H,9H2,(H,22,24)
InChIKeyLHACCFLNGJXESC-UHFFFAOYSA-N
XLogP4.36
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67222014) is N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is FC(F)(F)Oc1cccc(-c2cn3nc(NCc4cccnc4)sc3n2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is LHACCFLNGJXESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5OS/c18-17(19,20)26-13-5-1-4-12(7-13)14-10-25-16(23-14)27-15(24-25)22-9-11-3-2-6-21-8-11/h1-8,10H,9H2,(H,22,24).
What are the key properties of N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 391.38 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67222014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).