2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine

C36H26F4N8O3S2 — CID 159379018

IUPAC2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine
SMILESNc1nccs1.O=C(Nc1nccs1)c1cccn2cc(-c3ccc(C(F)F)cc3)nc12.O=C(O)c1cccn2cc(-c3ccc(C(F)F)cc3)nc12
InChIInChI=1S/C18H12F2N4OS.C15H10F2N2O2.C3H4N2S/c19-15(20)12-5-3-11(4-6-12)14-10-24-8-1-2-13(16(24)22-14)17(25)23-18-21-7-9-26-18;16-13(17)10-5-3-9(4-6-10)12-8-19-7-1-2-11(15(20)21)14(19)18-12;4-3-5-1-2-6-3/h1-10,15H,(H,21,23,25);1-8,13H,(H,20,21);1-2H,(H2,4,5)
InChIKeyLKRCRISOIUCBGZ-UHFFFAOYSA-N
MW758.78 g/mol
LogP9.01
Rot. Bonds7

About 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine

2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine (PubChem CID 159379018) has the molecular formula C36H26F4N8O3S2 and a molecular weight of 758.78 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine
PubChem CID159379018
Molecular FormulaC36H26F4N8O3S2
Molecular Weight758.78 g/mol
Exact Mass758.15
IUPAC Name2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine
SMILESNc1nccs1.O=C(Nc1nccs1)c1cccn2cc(-c3ccc(C(F)F)cc3)nc12.O=C(O)c1cccn2cc(-c3ccc(C(F)F)cc3)nc12
InChIInChI=1S/C18H12F2N4OS.C15H10F2N2O2.C3H4N2S/c19-15(20)12-5-3-11(4-6-12)14-10-24-8-1-2-13(16(24)22-14)17(25)23-18-21-7-9-26-18;16-13(17)10-5-3-9(4-6-10)12-8-19-7-1-2-11(15(20)21)14(19)18-12;4-3-5-1-2-6-3/h1-10,15H,(H,21,23,25);1-8,13H,(H,20,21);1-2H,(H2,4,5)
InChIKeyLKRCRISOIUCBGZ-UHFFFAOYSA-N
XLogP9.01
TPSA152.80 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500758.78
LogP ≤ 59.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide
CID 58208487
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 58208495
2-Ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 140656264
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 157600067
1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 157810168
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 157849820
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide;5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
CID 158354397
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine;N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide;5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
CID 158364939
1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 160152606
2-[3-(Trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 160155800
1-[3-[7-[2-(1,3-Thiazol-2-yl)acetyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 161939210
1,3-thiazol-2-amine;N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide;2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
CID 162127143

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine (CID 159379018) is 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine is Nc1nccs1.O=C(Nc1nccs1)c1cccn2cc(-c3ccc(C(F)F)cc3)nc12.O=C(O)c1cccn2cc(-c3ccc(C(F)F)cc3)nc12.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine?
The InChIKey is LKRCRISOIUCBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4OS.C15H10F2N2O2.C3H4N2S/c19-15(20)12-5-3-11(4-6-12)14-10-24-8-1-2-13(16(24)22-14)17(25)23-18-21-7-9-26-18;16-13(17)10-5-3-9(4-6-10)12-8-19-7-1-2-11(15(20)21)14(19)18-12;4-3-5-1-2-6-3/h1-10,15H,(H,21,23,25);1-8,13H,(H,20,21);1-2H,(H2,4,5).
What are the key properties of 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine?
2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine has a molecular weight of 758.78 g/mol, XLogP of 9.01, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine is sourced from PubChem (CID 159379018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).