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

C20H15ClN2O2S — CID 128962848

IUPACN-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccco1
InChIInChI=1S/C20H14N2O2S.ClH/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;1H/b21-20-;
InChIKeyVVRBIEWXHJONMI-CFRCJOIHSA-N
MW382.87 g/mol
LogP4.96
Rot. Bonds3

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

N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride (PubChem CID 128962848) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride
PubChem CID128962848
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC NameN-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride
SMILESCl.O=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccco1
InChIInChI=1S/C20H14N2O2S.ClH/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;1H/b21-20-;
InChIKeyVVRBIEWXHJONMI-CFRCJOIHSA-N
XLogP4.96
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.96
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;hydrochloride?
The IUPAC name of N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride (CID 128962848) is N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is VVRBIEWXHJONMI-CFRCJOIHSA-N. The full InChI is InChI=1S/C20H14N2O2S.ClH/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;1H/b21-20-;.
What are the key properties of N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride?
N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride has a molecular weight of 382.87 g/mol, XLogP of 4.96, 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;hydrochloride is sourced from PubChem (CID 128962848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).