3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C17H10ClF3N4O2S — CID 25190169

IUPAC3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1nccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C17H10ClF3N4O2S/c18-14-13(16(26)23-7-12-22-3-5-28-12)24-15-10(17(19,20)21)6-9(8-25(14)15)11-2-1-4-27-11/h1-6,8H,7H2,(H,23,26)
InChIKeyLTLQWQBRNARJSI-UHFFFAOYSA-N
MW426.81 g/mol
LogP4.65
Rot. Bonds4

About 3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25190169) has the molecular formula C17H10ClF3N4O2S and a molecular weight of 426.81 g/mol. Its IUPAC name is 3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25190169
Molecular FormulaC17H10ClF3N4O2S
Molecular Weight426.81 g/mol
Exact Mass426.02
IUPAC Name3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1nccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C17H10ClF3N4O2S/c18-14-13(16(26)23-7-12-22-3-5-28-12)24-15-10(17(19,20)21)6-9(8-25(14)15)11-2-1-4-27-11/h1-6,8H,7H2,(H,23,26)
InChIKeyLTLQWQBRNARJSI-UHFFFAOYSA-N
XLogP4.65
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 25190169) is 3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1nccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LTLQWQBRNARJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N4O2S/c18-14-13(16(26)23-7-12-22-3-5-28-12)24-15-10(17(19,20)21)6-9(8-25(14)15)11-2-1-4-27-11/h1-6,8H,7H2,(H,23,26).
What are the key properties of 3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 426.81 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25190169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).