4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide

C20H16F3N5O2S — CID 58163814

IUPAC4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3c(C(F)(F)F)nc4cc(OC)ccn34)cs2)cc1
InChIInChI=1S/C20H16F3N5O2S/c1-24-18(29)11-3-5-12(6-4-11)25-19-26-14(10-31-19)16-17(20(21,22)23)27-15-9-13(30-2)7-8-28(15)16/h3-10H,1-2H3,(H,24,29)(H,25,26)
InChIKeyGEQLNMWNICPUAA-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.59
Rot. Bonds5

About 4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide

4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide (PubChem CID 58163814) has the molecular formula C20H16F3N5O2S and a molecular weight of 447.44 g/mol. Its IUPAC name is 4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide
PubChem CID58163814
Molecular FormulaC20H16F3N5O2S
Molecular Weight447.44 g/mol
Exact Mass447.10
IUPAC Name4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3c(C(F)(F)F)nc4cc(OC)ccn34)cs2)cc1
InChIInChI=1S/C20H16F3N5O2S/c1-24-18(29)11-3-5-12(6-4-11)25-19-26-14(10-31-19)16-17(20(21,22)23)27-15-9-13(30-2)7-8-28(15)16/h3-10H,1-2H3,(H,24,29)(H,25,26)
InChIKeyGEQLNMWNICPUAA-UHFFFAOYSA-N
XLogP4.59
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide (CID 58163814) is 4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2nc(-c3c(C(F)(F)F)nc4cc(OC)ccn34)cs2)cc1.
What is the InChIKey of 4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide?
The InChIKey is GEQLNMWNICPUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2S/c1-24-18(29)11-3-5-12(6-4-11)25-19-26-14(10-31-19)16-17(20(21,22)23)27-15-9-13(30-2)7-8-28(15)16/h3-10H,1-2H3,(H,24,29)(H,25,26).
What are the key properties of 4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide?
4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide has a molecular weight of 447.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 58163814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).