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

C16H12N2O3S — CID 646097

IUPACN-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide
SMILESO=C(Cn1ccs/c1=N\C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C16H12N2O3S/c19-13(12-5-2-1-3-6-12)11-18-8-10-22-16(18)17-15(20)14-7-4-9-21-14/h1-10H,11H2/b17-16-
InChIKeyVTWGHLRFLCGOAD-MSUUIHNZSA-N
MW312.35 g/mol
LogP2.77
Rot. Bonds4

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

N-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide (PubChem CID 646097) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide
PubChem CID646097
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC NameN-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide
SMILESO=C(Cn1ccs/c1=N\C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C16H12N2O3S/c19-13(12-5-2-1-3-6-12)11-18-8-10-22-16(18)17-15(20)14-7-4-9-21-14/h1-10H,11H2/b17-16-
InChIKeyVTWGHLRFLCGOAD-MSUUIHNZSA-N
XLogP2.77
TPSA64.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide (CID 646097) is N-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide is O=C(Cn1ccs/c1=N\C(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is VTWGHLRFLCGOAD-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-13(12-5-2-1-3-6-12)11-18-8-10-22-16(18)17-15(20)14-7-4-9-21-14/h1-10H,11H2/b17-16-.
What are the key properties of N-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide?
N-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenacyl-1,3-thiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 646097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).