N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

C21H24N4O3S — CID 46487138

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)cs2)o1
InChIInChI=1S/C21H24N4O3S/c1-13-4-6-18(28-13)21-24-17(12-29-21)20(26)23-9-16-5-7-19(22-8-16)25-10-14(2)27-15(3)11-25/h4-8,12,14-15H,9-11H2,1-3H3,(H,23,26)
InChIKeyYHTIBHYTEXSJOY-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.65
Rot. Bonds5

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 46487138) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID46487138
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)cs2)o1
InChIInChI=1S/C21H24N4O3S/c1-13-4-6-18(28-13)21-24-17(12-29-21)20(26)23-9-16-5-7-19(22-8-16)25-10-14(2)27-15(3)11-25/h4-8,12,14-15H,9-11H2,1-3H3,(H,23,26)
InChIKeyYHTIBHYTEXSJOY-UHFFFAOYSA-N
XLogP3.65
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120641712
1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94025139
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55777031
5-(5-methylfuran-2-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 112829886
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119434138
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 46466736
N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119504269
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 55820610
N-[3-(methylamino)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119434137

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide (CID 46487138) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)cs2)o1.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YHTIBHYTEXSJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-13-4-6-18(28-13)21-24-17(12-29-21)20(26)23-9-16-5-7-19(22-8-16)25-10-14(2)27-15(3)11-25/h4-8,12,14-15H,9-11H2,1-3H3,(H,23,26).
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46487138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).