N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide

C16H14N2O2S — CID 838627

IUPACN-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide
SMILESCc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-11-14(12-7-4-3-5-8-12)18(2)16(21-11)17-15(19)13-9-6-10-20-13/h3-10H,1-2H3/b17-16-
InChIKeyJHDMTNMLQQZZTI-MSUUIHNZSA-N
MW298.37 g/mol
LogP3.40
Rot. Bonds2

About N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide

N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide (PubChem CID 838627) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide
PubChem CID838627
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide
SMILESCc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-11-14(12-7-4-3-5-8-12)18(2)16(21-11)17-15(19)13-9-6-10-20-13/h3-10H,1-2H3/b17-16-
InChIKeyJHDMTNMLQQZZTI-MSUUIHNZSA-N
XLogP3.40
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.40
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-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide (CID 838627) is N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide is Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccccc1.
What is the InChIKey of N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is JHDMTNMLQQZZTI-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-14(12-7-4-3-5-8-12)18(2)16(21-11)17-15(19)13-9-6-10-20-13/h3-10H,1-2H3/b17-16-.
What are the key properties of N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 838627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).