6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid

C40H38N12O5S2 — CID 159712062

IUPAC6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid
SMILESCc1nsc2cc(C(C)N)n(-c3ccccc3)c(=O)c12.Cc1nsc2cc(C(C)NC(=O)c3nccnc3N)n(-c3ccccc3)c(=O)c12.Nc1nccnc1C(=O)O
InChIInChI=1S/C20H18N6O2S.C15H15N3OS.C5H5N3O2/c1-11(24-19(27)17-18(21)23-9-8-22-17)14-10-15-16(12(2)25-29-15)20(28)26(14)13-6-4-3-5-7-13;1-9(16)12-8-13-14(10(2)17-20-13)15(19)18(12)11-6-4-3-5-7-11;6-4-3(5(9)10)7-1-2-8-4/h3-11H,1-2H3,(H2,21,23)(H,24,27);3-9H,16H2,1-2H3;1-2H,(H2,6,8)(H,9,10)
InChIKeyMYYSAMXIDGGCAU-UHFFFAOYSA-N
MW830.96 g/mol
LogP5.15
Rot. Bonds7

About 6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid

6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid (PubChem CID 159712062) has the molecular formula C40H38N12O5S2 and a molecular weight of 830.96 g/mol. Its IUPAC name is 6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid
PubChem CID159712062
Molecular FormulaC40H38N12O5S2
Molecular Weight830.96 g/mol
Exact Mass830.25
IUPAC Name6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid
SMILESCc1nsc2cc(C(C)N)n(-c3ccccc3)c(=O)c12.Cc1nsc2cc(C(C)NC(=O)c3nccnc3N)n(-c3ccccc3)c(=O)c12.Nc1nccnc1C(=O)O
InChIInChI=1S/C20H18N6O2S.C15H15N3OS.C5H5N3O2/c1-11(24-19(27)17-18(21)23-9-8-22-17)14-10-15-16(12(2)25-29-15)20(28)26(14)13-6-4-3-5-7-13;1-9(16)12-8-13-14(10(2)17-20-13)15(19)18(12)11-6-4-3-5-7-11;6-4-3(5(9)10)7-1-2-8-4/h3-11H,1-2H3,(H2,21,23)(H,24,27);3-9H,16H2,1-2H3;1-2H,(H2,6,8)(H,9,10)
InChIKeyMYYSAMXIDGGCAU-UHFFFAOYSA-N
XLogP5.15
TPSA265.80 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.96
LogP ≤ 55.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid with MolForge

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Related Compounds

3-amino-N-[1-(8-but-1-ynyl-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazine-2-carboxamide
CID 123738786
N-[(1S)-1-[8-(3-acetamidoprop-1-ynyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-3-aminopyrazine-2-carboxamide
CID 118004081
3-amino-N-[(1S)-1-[8-[3-(methanesulfonamido)prop-1-ynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazine-2-carboxamide
CID 118004083
3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 97089427
4-amino-N-[1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 123385796
3-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl]ethyl]pyrazine-2-carboxamide
CID 121259472
3-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide
CID 118004265
3-amino-N-[(1R)-1-[7-[2-(1-methylpyrazol-4-yl)ethynyl]-1-phenylindol-2-yl]ethyl]pyrazine-2-carboxamide
CID 121259134
2-amino-N-[(1S)-1-[8-[2-(2-methyl-3-pyridinyl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003499
3-amino-N-[1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-5-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]ethyl]pyrazine-2-carboxamide
CID 121258986
3-[(1S)-1-aminoethyl]-8-hydroxy-2-phenylisoquinolin-1-one
CID 71273824
7-amino-4-methyl-N-[1-[1-oxo-2-phenyl-8-(2-pyridin-4-ylethynyl)isoquinolin-3-yl]ethyl]-1,6-naphthyridine-8-carboxamide
CID 123730696

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid?
The IUPAC name of 6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid (CID 159712062) is 6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid?
The canonical SMILES for 6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid is Cc1nsc2cc(C(C)N)n(-c3ccccc3)c(=O)c12.Cc1nsc2cc(C(C)NC(=O)c3nccnc3N)n(-c3ccccc3)c(=O)c12.Nc1nccnc1C(=O)O.
What is the InChIKey of 6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid?
The InChIKey is MYYSAMXIDGGCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S.C15H15N3OS.C5H5N3O2/c1-11(24-19(27)17-18(21)23-9-8-22-17)14-10-15-16(12(2)25-29-15)20(28)26(14)13-6-4-3-5-7-13;1-9(16)12-8-13-14(10(2)17-20-13)15(19)18(12)11-6-4-3-5-7-11;6-4-3(5(9)10)7-1-2-8-4/h3-11H,1-2H3,(H2,21,23)(H,24,27);3-9H,16H2,1-2H3;1-2H,(H2,6,8)(H,9,10).
What are the key properties of 6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid?
6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid has a molecular weight of 830.96 g/mol, XLogP of 5.15, 7 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-3-methyl-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-4-one;3-amino-N-[1-(3-methyl-4-oxo-5-phenyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)ethyl]pyrazine-2-carboxamide;3-aminopyrazine-2-carboxylic acid is sourced from PubChem (CID 159712062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).