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

C44H44N10O5S2 — CID 158681131

IUPAC2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)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(CN4CCOCC4)cc3)nc12.O=C(O)c1cccn2cc(-c3ccc(CN4CCOCC4)cc3)nc12
InChIInChI=1S/C22H21N5O2S.C19H19N3O3.C3H4N2S/c28-21(25-22-23-7-13-30-22)18-2-1-8-27-15-19(24-20(18)27)17-5-3-16(4-6-17)14-26-9-11-29-12-10-26;23-19(24)16-2-1-7-22-13-17(20-18(16)22)15-5-3-14(4-6-15)12-21-8-10-25-11-9-21;4-3-5-1-2-6-3/h1-8,13,15H,9-12,14H2,(H,23,25,28);1-7,13H,8-12H2,(H,23,24);1-2H,(H2,4,5)
InChIKeyIFDIMIKWQVPFQL-UHFFFAOYSA-N
MW857.04 g/mol
LogP6.80
Rot. Bonds9

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

2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine (PubChem CID 158681131) has the molecular formula C44H44N10O5S2 and a molecular weight of 857.04 g/mol. Its IUPAC name is 2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine
PubChem CID158681131
Molecular FormulaC44H44N10O5S2
Molecular Weight857.04 g/mol
Exact Mass856.29
IUPAC Name2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)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(CN4CCOCC4)cc3)nc12.O=C(O)c1cccn2cc(-c3ccc(CN4CCOCC4)cc3)nc12
InChIInChI=1S/C22H21N5O2S.C19H19N3O3.C3H4N2S/c28-21(25-22-23-7-13-30-22)18-2-1-8-27-15-19(24-20(18)27)17-5-3-16(4-6-17)14-26-9-11-29-12-10-26;23-19(24)16-2-1-7-22-13-17(20-18(16)22)15-5-3-14(4-6-15)12-21-8-10-25-11-9-21;4-3-5-1-2-6-3/h1-8,13,15H,9-12,14H2,(H,23,25,28);1-7,13H,8-12H2,(H,23,24);1-2H,(H2,4,5)
InChIKeyIFDIMIKWQVPFQL-UHFFFAOYSA-N
XLogP6.80
TPSA177.74 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.04
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine with MolForge

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Related Compounds

8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 89034067
4-[[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]morpholine
CID 58208395
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 44540670
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 143902920
2-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638333
CID 158999175
CID 158999175
2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 30485889
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-morpholin-4-ylacetamide
CID 75499509
1-benzyl-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 39949554
2-[4-[6-chloro-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 46868083

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)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-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine (CID 158681131) is 2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)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-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)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-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)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(CN4CCOCC4)cc3)nc12.O=C(O)c1cccn2cc(-c3ccc(CN4CCOCC4)cc3)nc12.
What is the InChIKey of 2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine?
The InChIKey is IFDIMIKWQVPFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S.C19H19N3O3.C3H4N2S/c28-21(25-22-23-7-13-30-22)18-2-1-8-27-15-19(24-20(18)27)17-5-3-16(4-6-17)14-26-9-11-29-12-10-26;23-19(24)16-2-1-7-22-13-17(20-18(16)22)15-5-3-14(4-6-15)12-21-8-10-25-11-9-21;4-3-5-1-2-6-3/h1-8,13,15H,9-12,14H2,(H,23,25,28);1-7,13H,8-12H2,(H,23,24);1-2H,(H2,4,5).
What are the key properties of 2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine?
2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine has a molecular weight of 857.04 g/mol, XLogP of 6.80, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine is sourced from PubChem (CID 158681131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).