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

C17H14N4O2S2 — CID 567755

IUPAC2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESN#CC1=C(SCC(=O)Nc2nccs2)NC(=O)CC1c1ccccc1
InChIInChI=1S/C17H14N4O2S2/c18-9-13-12(11-4-2-1-3-5-11)8-14(22)20-16(13)25-10-15(23)21-17-19-6-7-24-17/h1-7,12H,8,10H2,(H,20,22)(H,19,21,23)
InChIKeySKWHBOSBPBZVDA-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.85
Rot. Bonds5

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

2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 567755) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID567755
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESN#CC1=C(SCC(=O)Nc2nccs2)NC(=O)CC1c1ccccc1
InChIInChI=1S/C17H14N4O2S2/c18-9-13-12(11-4-2-1-3-5-11)8-14(22)20-16(13)25-10-15(23)21-17-19-6-7-24-17/h1-7,12H,8,10H2,(H,20,22)(H,19,21,23)
InChIKeySKWHBOSBPBZVDA-UHFFFAOYSA-N
XLogP2.85
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
CID 4307629
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 854189
(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
CID 9886086
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
Necrostatin-34
CID 3841655
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319
(15R)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide
CID 44565647
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3824898
2-{[5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 2909699

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 567755) is 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)CC1c1ccccc1.
What is the InChIKey of 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SKWHBOSBPBZVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c18-9-13-12(11-4-2-1-3-5-11)8-14(22)20-16(13)25-10-15(23)21-17-19-6-7-24-17/h1-7,12H,8,10H2,(H,20,22)(H,19,21,23).
What are the key properties of 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 370.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 567755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).