N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide

C20H14N2O2S — CID 776030

IUPACN-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide
SMILESO=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccco1
InChIInChI=1S/C20H14N2O2S/c23-19(18-12-7-13-24-18)21-20-22(16-10-5-2-6-11-16)17(14-25-20)15-8-3-1-4-9-15/h1-14H/b21-20-
InChIKeyBXUWKCDVRSUCRR-MRCUWXFGSA-N
MW346.41 g/mol
LogP4.54
Rot. Bonds3

About N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide

N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide (PubChem CID 776030) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide
PubChem CID776030
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC NameN-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide
SMILESO=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccco1
InChIInChI=1S/C20H14N2O2S/c23-19(18-12-7-13-24-18)21-20-22(16-10-5-2-6-11-16)17(14-25-20)15-8-3-1-4-9-15/h1-14H/b21-20-
InChIKeyBXUWKCDVRSUCRR-MRCUWXFGSA-N
XLogP4.54
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide (CID 776030) is N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide is O=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccco1.
What is the InChIKey of N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is BXUWKCDVRSUCRR-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H14N2O2S/c23-19(18-12-7-13-24-18)21-20-22(16-10-5-2-6-11-16)17(14-25-20)15-8-3-1-4-9-15/h1-14H/b21-20-.
What are the key properties of N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 776030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).