N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide

C20H16N6O2S — CID 146448996

IUPACN-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide
SMILESC=CC(=O)Nc1cncc(-c2cccc(C(C)C(=O)Nc3ncc(C#N)s3)c2)n1
InChIInChI=1S/C20H16N6O2S/c1-3-18(27)25-17-11-22-10-16(24-17)14-6-4-5-13(7-14)12(2)19(28)26-20-23-9-15(8-21)29-20/h3-7,9-12H,1H2,2H3,(H,23,26,28)(H,24,25,27)
InChIKeyUUZWMMCGVFKHNI-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.34
Rot. Bonds6

About N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide

N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide (PubChem CID 146448996) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide
PubChem CID146448996
Molecular FormulaC20H16N6O2S
Molecular Weight404.46 g/mol
Exact Mass404.11
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide
SMILESC=CC(=O)Nc1cncc(-c2cccc(C(C)C(=O)Nc3ncc(C#N)s3)c2)n1
InChIInChI=1S/C20H16N6O2S/c1-3-18(27)25-17-11-22-10-16(24-17)14-6-4-5-13(7-14)12(2)19(28)26-20-23-9-15(8-21)29-20/h3-7,9-12H,1H2,2H3,(H,23,26,28)(H,24,25,27)
InChIKeyUUZWMMCGVFKHNI-UHFFFAOYSA-N
XLogP3.34
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)-3-pyridinyl]phenyl]propanamide
CID 146532130
(2S)-2-[3-[3-cyano-4-(prop-2-enoylamino)phenyl]phenyl]-N-(5-ethyl-1,3-thiazol-2-yl)propanamide
CID 146448811
(2S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)-3-pyridinyl]phenyl]propanamide
CID 146449096
2-[5-[5-cyano-6-(prop-2-enoylamino)-3-pyridinyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 146448804
(2S)-2-[3-[2-(prop-2-enoylamino)-1H-pyridazin-5-yl]phenyl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 166731762
N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 90603621
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
(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide
CID 164639869
(E)-4-[(3S)-3-fluoropyrrolidin-1-yl]-N-[5-[3-[(2S)-1-oxo-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-yl]phenyl]pyrazin-2-yl]but-2-enamide
CID 146449000
(2S)-2-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
CID 46226290
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide (CID 146448996) is N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide is C=CC(=O)Nc1cncc(-c2cccc(C(C)C(=O)Nc3ncc(C#N)s3)c2)n1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide?
The InChIKey is UUZWMMCGVFKHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c1-3-18(27)25-17-11-22-10-16(24-17)14-6-4-5-13(7-14)12(2)19(28)26-20-23-9-15(8-21)29-20/h3-7,9-12H,1H2,2H3,(H,23,26,28)(H,24,25,27).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide?
N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide has a molecular weight of 404.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-2-[3-[6-(prop-2-enoylamino)pyrazin-2-yl]phenyl]propanamide is sourced from PubChem (CID 146448996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).