5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

C23H19N5O3S2 — CID 2908352

IUPAC5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCC(=O)Nc2nccs2)N1
InChIInChI=1S/C23H19N5O3S2/c1-14-19(21(30)27-15-6-3-2-4-7-15)20(17-8-5-10-31-17)16(12-24)22(26-14)33-13-18(29)28-23-25-9-11-32-23/h2-11,20,26H,13H2,1H3,(H,27,30)(H,25,28,29)
InChIKeyODSNJLZUDNTTAU-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.44
Rot. Bonds7

About 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide (PubChem CID 2908352) has the molecular formula C23H19N5O3S2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
PubChem CID2908352
Molecular FormulaC23H19N5O3S2
Molecular Weight477.57 g/mol
Exact Mass477.09
IUPAC Name5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCC(=O)Nc2nccs2)N1
InChIInChI=1S/C23H19N5O3S2/c1-14-19(21(30)27-15-6-3-2-4-7-15)20(17-8-5-10-31-17)16(12-24)22(26-14)33-13-18(29)28-23-25-9-11-32-23/h2-11,20,26H,13H2,1H3,(H,27,30)(H,25,28,29)
InChIKeyODSNJLZUDNTTAU-UHFFFAOYSA-N
XLogP4.44
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The IUPAC name of 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide (CID 2908352) is 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The canonical SMILES for 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCC(=O)Nc2nccs2)N1.
What is the InChIKey of 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The InChIKey is ODSNJLZUDNTTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S2/c1-14-19(21(30)27-15-6-3-2-4-7-15)20(17-8-5-10-31-17)16(12-24)22(26-14)33-13-18(29)28-23-25-9-11-32-23/h2-11,20,26H,13H2,1H3,(H,27,30)(H,25,28,29).
What are the key properties of 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 2908352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).