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

C18H12F2N4O2S — CID 146597636

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1
InChIInChI=1S/C18H12F2N4O2S/c1-10-16(24-7-3-2-4-15(24)21-10)12-9-27-17(23-12)22-11-5-6-13-14(8-11)26-18(19,20)25-13/h2-9H,1H3,(H,22,23)
InChIKeyHRDYUBRUYLOBKX-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.83
Rot. Bonds3

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

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 146597636) has the molecular formula C18H12F2N4O2S and a molecular weight of 386.38 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
PubChem CID146597636
Molecular FormulaC18H12F2N4O2S
Molecular Weight386.38 g/mol
Exact Mass386.06
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1
InChIInChI=1S/C18H12F2N4O2S/c1-10-16(24-7-3-2-4-15(24)21-10)12-9-27-17(23-12)22-11-5-6-13-14(8-11)26-18(19,20)25-13/h2-9H,1H3,(H,22,23)
InChIKeyHRDYUBRUYLOBKX-UHFFFAOYSA-N
XLogP4.83
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (CID 146597636) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is Cc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is HRDYUBRUYLOBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S/c1-10-16(24-7-3-2-4-15(24)21-10)12-9-27-17(23-12)22-11-5-6-13-14(8-11)26-18(19,20)25-13/h2-9H,1H3,(H,22,23).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 386.38 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 146597636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).