methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate

C18H20N6O5S2 — CID 132779801

IUPACmethyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cccc(C3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)s1
InChIInChI=1S/C18H20N6O5S2/c1-23-10-16(20-11-23)31(26,27)24-6-7-29-13(9-24)12-4-3-5-15(21-12)22-18-19-8-14(30-18)17(25)28-2/h3-5,8,10-11,13H,6-7,9H2,1-2H3,(H,19,21,22)
InChIKeyMCAJYJAUSVNRCF-UHFFFAOYSA-N
MW464.53 g/mol
LogP1.56
Rot. Bonds6

About methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 132779801) has the molecular formula C18H20N6O5S2 and a molecular weight of 464.53 g/mol. Its IUPAC name is methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID132779801
Molecular FormulaC18H20N6O5S2
Molecular Weight464.53 g/mol
Exact Mass464.09
IUPAC Namemethyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cccc(C3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)s1
InChIInChI=1S/C18H20N6O5S2/c1-23-10-16(20-11-23)31(26,27)24-6-7-29-13(9-24)12-4-3-5-15(21-12)22-18-19-8-14(30-18)17(25)28-2/h3-5,8,10-11,13H,6-7,9H2,1-2H3,(H,19,21,22)
InChIKeyMCAJYJAUSVNRCF-UHFFFAOYSA-N
XLogP1.56
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-(5-fluoro-2-pyridinyl)-6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]pyridin-2-amine
CID 124961644
6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124942643
N-[6-[4-(benzenesulfonyl)morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 155984910
N-[6-[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 155985038
(2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine
CID 124953478
2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
CID 110105107
[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 155985021
cyclopentyl-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 155984921
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124995303
1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 155985048
2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
CID 81211759
3-(4-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 155984918

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate (CID 132779801) is methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2cccc(C3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)s1.
What is the InChIKey of methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is MCAJYJAUSVNRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O5S2/c1-23-10-16(20-11-23)31(26,27)24-6-7-29-13(9-24)12-4-3-5-15(21-12)22-18-19-8-14(30-18)17(25)28-2/h3-5,8,10-11,13H,6-7,9H2,1-2H3,(H,19,21,22).
What are the key properties of methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 464.53 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 132779801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).