2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide

C20H20N6O2S — CID 175839004

IUPAC2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide
SMILESC=C(C(N)=O)c1cnc(-c2cncc(C(C)C(=O)Nc3ncc(CC)s3)c2)cn1
InChIInChI=1S/C20H20N6O2S/c1-4-15-8-25-20(29-15)26-19(28)11(2)13-5-14(7-22-6-13)17-10-23-16(9-24-17)12(3)18(21)27/h5-11H,3-4H2,1-2H3,(H2,21,27)(H,25,26,28)
InChIKeyIHJDTGCFRIBWLC-UHFFFAOYSA-N
MW408.49 g/mol
LogP2.80
Rot. Bonds7

About 2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide

2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 175839004) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide
PubChem CID175839004
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide
SMILESC=C(C(N)=O)c1cnc(-c2cncc(C(C)C(=O)Nc3ncc(CC)s3)c2)cn1
InChIInChI=1S/C20H20N6O2S/c1-4-15-8-25-20(29-15)26-19(28)11(2)13-5-14(7-22-6-13)17-10-23-16(9-24-17)12(3)18(21)27/h5-11H,3-4H2,1-2H3,(H2,21,27)(H,25,26,28)
InChIKeyIHJDTGCFRIBWLC-UHFFFAOYSA-N
XLogP2.80
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[5-[5-[(2-isocyanoacetyl)amino]pyrazin-2-yl]-3-pyridinyl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 159464400
(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 130680042
N-[5-[5-[4-(5-ethyl-1,3-thiazol-2-yl)-3-oxobutan-2-yl]-3-pyridinyl]pyrazin-2-yl]prop-2-enamide
CID 159348235
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-3-methylpentanamide
CID 119755320
(2S)-2-[3-[3-cyano-4-(prop-2-enoylamino)phenyl]phenyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide
CID 146448811
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 120667956
N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119755311
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
N-[3-cyano-5-[3-[1-[(5-ethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]phenyl]-2-pyridinyl]-4-(dimethylamino)but-2-enamide
CID 156853164
(E)-4-(dimethylamino)-N-[5-[3-[1-[(5-ethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]phenyl]-2-pyridinyl]but-2-enamide
CID 170347610
2-[5-[5-cyano-6-(prop-2-enoylamino)-3-pyridinyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 146448804
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 119307130

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide (CID 175839004) is 2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide is C=C(C(N)=O)c1cnc(-c2cncc(C(C)C(=O)Nc3ncc(CC)s3)c2)cn1.
What is the InChIKey of 2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is IHJDTGCFRIBWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-4-15-8-25-20(29-15)26-19(28)11(2)13-5-14(7-22-6-13)17-10-23-16(9-24-17)12(3)18(21)27/h5-11H,3-4H2,1-2H3,(H2,21,27)(H,25,26,28).
What are the key properties of 2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide?
2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 408.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(3-amino-3-oxoprop-1-en-2-yl)pyrazin-2-yl]-3-pyridinyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 175839004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).