N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine

C29H34N6OS — CID 130283443

IUPACN-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(C4=NCC(C)O4)CC3)cn2c1N(C)c1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C29H34N6OS/c1-5-24-27(33(4)29-32-25(18-37-29)22-8-6-19(2)7-9-22)35-17-23(10-11-26(35)31-24)21-12-14-34(15-13-21)28-30-16-20(3)36-28/h6-11,17-18,20-21H,5,12-16H2,1-4H3
InChIKeyFPYGIVQJSPGFKP-UHFFFAOYSA-N
MW514.70 g/mol
LogP6.05
Rot. Bonds5

About N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine

N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 130283443) has the molecular formula C29H34N6OS and a molecular weight of 514.70 g/mol. Its IUPAC name is N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID130283443
Molecular FormulaC29H34N6OS
Molecular Weight514.70 g/mol
Exact Mass514.25
IUPAC NameN-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(C4=NCC(C)O4)CC3)cn2c1N(C)c1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C29H34N6OS/c1-5-24-27(33(4)29-32-25(18-37-29)22-8-6-19(2)7-9-22)35-17-23(10-11-26(35)31-24)21-12-14-34(15-13-21)28-30-16-20(3)36-28/h6-11,17-18,20-21H,5,12-16H2,1-4H3
InChIKeyFPYGIVQJSPGFKP-UHFFFAOYSA-N
XLogP6.05
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.70
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide
CID 134173342
2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone
CID 90421240
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetic acid
CID 130274172
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone
CID 90446856
methyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-N-(4-hydroxybutyl)piperidine-1-carboximidate
CID 155112690
3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-(1-methylsulfanylpiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]propanenitrile
CID 130283809
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 90420945
3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropyl acetate
CID 90420913
1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetyl]pyrrolidine-3-carbonitrile
CID 90420590
N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446713
4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
CID 78427517
N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446897

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 130283443) is N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(C4=NCC(C)O4)CC3)cn2c1N(C)c1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is FPYGIVQJSPGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6OS/c1-5-24-27(33(4)29-32-25(18-37-29)22-8-6-19(2)7-9-22)35-17-23(10-11-26(35)31-24)21-12-14-34(15-13-21)28-30-16-20(3)36-28/h6-11,17-18,20-21H,5,12-16H2,1-4H3.
What are the key properties of N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 514.70 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-[1-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130283443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).