N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine

C18H11F3N4O2S — CID 57490480

IUPACN-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H11F3N4O2S/c19-18(20,21)16-15(25-6-2-1-3-14(25)24-16)11-8-28-17(23-11)22-10-4-5-12-13(7-10)27-9-26-12/h1-8H,9H2,(H,22,23)
InChIKeyKYVBNUVMCOAOBP-UHFFFAOYSA-N
MW404.37 g/mol
LogP4.95
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine

N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine (PubChem CID 57490480) has the molecular formula C18H11F3N4O2S and a molecular weight of 404.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine
PubChem CID57490480
Molecular FormulaC18H11F3N4O2S
Molecular Weight404.37 g/mol
Exact Mass404.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H11F3N4O2S/c19-18(20,21)16-15(25-6-2-1-3-14(25)24-16)11-8-28-17(23-11)22-10-4-5-12-13(7-10)27-9-26-12/h1-8H,9H2,(H,22,23)
InChIKeyKYVBNUVMCOAOBP-UHFFFAOYSA-N
XLogP4.95
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine (CID 57490480) is N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine is FC(F)(F)c1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine?
The InChIKey is KYVBNUVMCOAOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O2S/c19-18(20,21)16-15(25-6-2-1-3-14(25)24-16)11-8-28-17(23-11)22-10-4-5-12-13(7-10)27-9-26-12/h1-8H,9H2,(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 404.37 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 57490480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).