N-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

C22H19F3N4O4S — CID 122509766

IUPACN-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCCCc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H18N4O2S.C2HF3O2/c1-2-5-14-19(24-9-4-3-6-18(24)22-14)15-11-27-20(23-15)21-13-7-8-16-17(10-13)26-12-25-16;3-2(4,5)1(6)7/h3-4,6-11H,2,5,12H2,1H3,(H,21,23);(H,6,7)
InChIKeyNAPGQVGKJJJDQP-UHFFFAOYSA-N
MW492.48 g/mol
LogP5.52
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid

N-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 122509766) has the molecular formula C22H19F3N4O4S and a molecular weight of 492.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
PubChem CID122509766
Molecular FormulaC22H19F3N4O4S
Molecular Weight492.48 g/mol
Exact Mass492.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
SMILESCCCc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H18N4O2S.C2HF3O2/c1-2-5-14-19(24-9-4-3-6-18(24)22-14)15-11-27-20(23-15)21-13-7-8-16-17(10-13)26-12-25-16;3-2(4,5)1(6)7/h3-4,6-11H,2,5,12H2,1H3,(H,21,23);(H,6,7)
InChIKeyNAPGQVGKJJJDQP-UHFFFAOYSA-N
XLogP5.52
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.48
LogP ≤ 55.52
H-Bond Donors ≤ 52
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-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid (CID 122509766) is N-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is CCCc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is NAPGQVGKJJJDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S.C2HF3O2/c1-2-5-14-19(24-9-4-3-6-18(24)22-14)15-11-27-20(23-15)21-13-7-8-16-17(10-13)26-12-25-16;3-2(4,5)1(6)7/h3-4,6-11H,2,5,12H2,1H3,(H,21,23);(H,6,7).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid?
N-(1,3-benzodioxol-5-yl)-4-(2-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 492.48 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 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-propylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122509766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).