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

C17H10F3N5O2S — CID 57490444

IUPACN-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc2ncccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C17H10F3N5O2S/c18-17(19,20)14-13(25-5-1-4-21-15(25)24-14)10-7-28-16(23-10)22-9-2-3-11-12(6-9)27-8-26-11/h1-7H,8H2,(H,22,23)
InChIKeyMEOQPHGDXXSOLS-UHFFFAOYSA-N
MW405.36 g/mol
LogP4.34
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine (PubChem CID 57490444) has the molecular formula C17H10F3N5O2S and a molecular weight of 405.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine
PubChem CID57490444
Molecular FormulaC17H10F3N5O2S
Molecular Weight405.36 g/mol
Exact Mass405.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc2ncccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C17H10F3N5O2S/c18-17(19,20)14-13(25-5-1-4-21-15(25)24-14)10-7-28-16(23-10)22-9-2-3-11-12(6-9)27-8-26-11/h1-7H,8H2,(H,22,23)
InChIKeyMEOQPHGDXXSOLS-UHFFFAOYSA-N
XLogP4.34
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]pyrimidin-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine (CID 57490444) is N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-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]pyrimidin-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine is FC(F)(F)c1nc2ncccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine?
The InChIKey is MEOQPHGDXXSOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O2S/c18-17(19,20)14-13(25-5-1-4-21-15(25)24-14)10-7-28-16(23-10)22-9-2-3-11-12(6-9)27-8-26-11/h1-7H,8H2,(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 405.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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]pyrimidin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 57490444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).