2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C19H18N4O3S2 — CID 3142254

IUPAC2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccccc1C1CC(=O)NC(SCC(=O)Nc2nccs2)=C1C#N
InChIInChI=1S/C19H18N4O3S2/c1-2-26-15-6-4-3-5-12(15)13-9-16(24)22-18(14(13)10-20)28-11-17(25)23-19-21-7-8-27-19/h3-8,13H,2,9,11H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyRIWKHGAOGQCSMW-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.25
Rot. Bonds7

About 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3142254) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3142254
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCOc1ccccc1C1CC(=O)NC(SCC(=O)Nc2nccs2)=C1C#N
InChIInChI=1S/C19H18N4O3S2/c1-2-26-15-6-4-3-5-12(15)13-9-16(24)22-18(14(13)10-20)28-11-17(25)23-19-21-7-8-27-19/h3-8,13H,2,9,11H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyRIWKHGAOGQCSMW-UHFFFAOYSA-N
XLogP3.25
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,3-dimethylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 1575135
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3707305
Ethyl 5-cyano-4-(2-ethoxyphenyl)-2-oxo-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,2,3,4-tetrahydropyridine-3-carboxylate
CID 3242086
2-(7-(2-(dimethylamino)ethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiazol-2-yl)propanamide
CID 3735492
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851580
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 2163381
3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 2956024
2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiazol-2-yl)propanamide
CID 3861394
(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 155523833
2-(3,4-diethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 730240
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534

Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 3142254) is 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is CCOc1ccccc1C1CC(=O)NC(SCC(=O)Nc2nccs2)=C1C#N.
What is the InChIKey of 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RIWKHGAOGQCSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-2-26-15-6-4-3-5-12(15)13-9-16(24)22-18(14(13)10-20)28-11-17(25)23-19-21-7-8-27-19/h3-8,13H,2,9,11H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3142254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).